From bad4f4f3bf94af2b91657e4e491fa6a082ad0a84 Mon Sep 17 00:00:00 2001 From: Mark Leader Date: Mon, 18 May 2026 16:41:36 -0400 Subject: [PATCH 1/5] updated test formatting to output long --- source/input.f90 | 3 + source/main.f90 | 956 ++++++++++++++---- test/main_interface/example1.inp | 2 +- test/main_interface/example10.inp | 2 +- test/main_interface/example11.inp | 2 +- test/main_interface/example12.inp | 2 +- test/main_interface/example13.inp | 2 +- test/main_interface/example14.inp | 2 +- test/main_interface/example3.inp | 2 +- test/main_interface/example4.inp | 2 +- test/main_interface/example5.inp | 2 +- test/main_interface/example6.inp | 2 +- test/main_interface/example7.inp | 1 + test/main_interface/example8.inp | 2 +- test/main_interface/example9.inp | 2 +- .../reference_output/example1.out | 120 +-- .../reference_output/example10.out | 268 +++-- .../reference_output/example11.out | 131 +-- .../reference_output/example12.out | 416 +++----- .../reference_output/example13.out | 130 +-- .../reference_output/example14.out | 44 +- .../reference_output/example2.out | 76 +- .../reference_output/example3.out | 124 +-- .../reference_output/example4.out | 118 +-- .../reference_output/example5.out | 124 +-- .../reference_output/example6.out | 90 +- .../reference_output/example7.out | 305 ++++-- .../reference_output/example8.out | 146 +-- .../reference_output/example9.out | 158 +-- test/main_interface/test_main.py | 178 +++- 30 files changed, 2174 insertions(+), 1238 deletions(-) diff --git a/source/input.f90 b/source/input.f90 index cf90963..b1e5710 100644 --- a/source/input.f90 +++ b/source/input.f90 @@ -117,6 +117,8 @@ module cea_input !! Dataset containing the output options real(dp), allocatable :: trace !! Only output species with concentrations greater than `trace` + logical :: long = .false. + !! Print extra-precision numeric output logical :: transport = .false. !! Optional flag to calculate mixture transport properties logical :: mass_fractions = .false. @@ -723,6 +725,7 @@ function parse_outp(buffer) result(output) ! Four letter keywords match = .true. select case(token(:4)) + case('long'); output%long = .true. case('tran'); output%transport = .true. case('trac'); output%trace = scanner%read_real() case default diff --git a/source/main.f90 b/source/main.f90 index fb3d0fd..6f17e87 100644 --- a/source/main.f90 +++ b/source/main.f90 @@ -1127,20 +1127,39 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) end if write(ioout, '(A)') "" write(ioout, '(A)') "INITIAL GAS (1)" - write(ioout, '(A, 14F9.3)') "Mach1 ", (solutions(i, 1, k)%mach(1), i=1,m) - write(ioout, '(A, 14F9.3)') "u1, m/s ", (solutions(i, 1, k)%u(1), i=1,m) - write(ioout, '(A, 14F9.3)') "P, bar ", (solutions(i, 1, k)%pressure(1), i=1,m) - write(ioout, '(A, 14F9.3)') "T, K ", (solutions(i, 1, k)%eq_soln(1)%T, i=1,m) - write(ioout, '(A, 14E9.3e1)') "rho1, kg/m^3 ", (solutions(i, 1, k)%eq_soln(1)%density, i=1,m) - write(ioout, '(A, 14F9.2)') "H, kJ/kg ", (solutions(i, 1, k)%eq_soln(1)%enthalpy, i=1,m) - write(ioout, '(A, 14F9.2)') "U, kJ/kg ", (solutions(i, 1, k)%eq_soln(1)%energy, i=1,m) - write(ioout, '(A, 14F9.1)') "G, kJ/kg ", (solutions(i, 1, k)%eq_soln(1)%gibbs_energy, i=1,m) - write(ioout, '(A, 14F9.2)') "S, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(1)%entropy, i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "Mach1 ", (solutions(i, 1, k)%mach(1), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "u1, m/s ", (solutions(i, 1, k)%u(1), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "P, bar ", (solutions(i, 1, k)%pressure(1), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "T, K ", (solutions(i, 1, k)%eq_soln(1)%T, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "rho1, kg/m^3 ", (solutions(i, 1, k)%eq_soln(1)%density, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "H, kJ/kg ", (solutions(i, 1, k)%eq_soln(1)%enthalpy, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "U, kJ/kg ", (solutions(i, 1, k)%eq_soln(1)%energy, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "G, kJ/kg ", (solutions(i, 1, k)%eq_soln(1)%gibbs_energy, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "S, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(1)%entropy, i=1,m) + else + write(ioout, '(A, 14F9.3)') "Mach1 ", (solutions(i, 1, k)%mach(1), i=1,m) + write(ioout, '(A, 14F9.3)') "u1, m/s ", (solutions(i, 1, k)%u(1), i=1,m) + write(ioout, '(A, 14F9.3)') "P, bar ", (solutions(i, 1, k)%pressure(1), i=1,m) + write(ioout, '(A, 14F9.3)') "T, K ", (solutions(i, 1, k)%eq_soln(1)%T, i=1,m) + write(ioout, '(A, 14E9.3e1)') "rho1, kg/m^3 ", (solutions(i, 1, k)%eq_soln(1)%density, i=1,m) + write(ioout, '(A, 14F9.2)') "H, kJ/kg ", (solutions(i, 1, k)%eq_soln(1)%enthalpy, i=1,m) + write(ioout, '(A, 14F9.2)') "U, kJ/kg ", (solutions(i, 1, k)%eq_soln(1)%energy, i=1,m) + write(ioout, '(A, 14F9.1)') "G, kJ/kg ", (solutions(i, 1, k)%eq_soln(1)%gibbs_energy, i=1,m) + write(ioout, '(A, 14F9.2)') "S, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(1)%entropy, i=1,m) + end if write(ioout, '(A)') "" - write(ioout, '(A, 14F9.3)') "M, (1/n) ", (1.0d0/solutions(i, 1, k)%eq_soln(1)%n, i=1,m) - write(ioout, '(A, 14F9.3)') "Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(1)%cp_eq, i=1,m) - write(ioout, '(A, 14F9.3)') "Gamma_s ", (solutions(i, 1, k)%eq_soln(1)%gamma_s, i=1,m) - write(ioout, '(A, 14F9.3)') "Son. Vel., m/s ", (solutions(i, 1, k)%v_sonic(1), i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "M, (1/n) ", (1.0d0/solutions(i, 1, k)%eq_soln(1)%n, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(1)%cp_eq, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "Gamma_s ", (solutions(i, 1, k)%eq_soln(1)%gamma_s, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "Son. Vel., m/s ", (solutions(i, 1, k)%v_sonic(1), i=1,m) + else + write(ioout, '(A, 14F9.3)') "M, (1/n) ", (1.0d0/solutions(i, 1, k)%eq_soln(1)%n, i=1,m) + write(ioout, '(A, 14F9.3)') "Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(1)%cp_eq, i=1,m) + write(ioout, '(A, 14F9.3)') "Gamma_s ", (solutions(i, 1, k)%eq_soln(1)%gamma_s, i=1,m) + write(ioout, '(A, 14F9.3)') "Son. Vel., m/s ", (solutions(i, 1, k)%v_sonic(1), i=1,m) + end if ! ------------------------------------------------------------------- ! Write results for the incident shock (equilibrium) @@ -1150,9 +1169,19 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) if (.not. solutions(i, 1, k)%converged) then write(ioout, '(A)') "" if (use_mach) then - write(ioout, '(A, 14F9.3)') "WARNING: No convergence for Mach1=",solutions(i, 1, k)%mach(1) + if (prob%output%long) then + write(ioout, '(A, 1X, ES23.15E3)') "WARNING: No convergence for Mach1=", & + solutions(i, 1, k)%mach(1) + else + write(ioout, '(A, 14F9.3)') "WARNING: No convergence for Mach1=",solutions(i, 1, k)%mach(1) + end if else - write(ioout, '(A, 14F9.3)') "WARNING: No convergence for u1=",solutions(i, 1, k)%u(1) + if (prob%output%long) then + write(ioout, '(A, 1X, ES23.15E3)') "WARNING: No convergence for u1=", & + solutions(i, 1, k)%u(1) + else + write(ioout, '(A, 14F9.3)') "WARNING: No convergence for u1=",solutions(i, 1, k)%u(1) + end if end if write(ioout, '(A)') "ANSWERS NOT RELIABLE, SOLUTION MAY NOT EXIST" end if @@ -1161,23 +1190,49 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) ! Write the shocked gas properties write(ioout, '(A)') "" write(ioout, '(A)') "SHOCKED GAS (2)--INCIDENT--"//incd_type - write(ioout, '(A, 14F9.3)') "u2, m/s ", (solutions(i, 1, k)%u(2), i=1,m) - write(ioout, '(A, 14F9.3)') "P, bar ", (solutions(i, 1, k)%pressure(2), i=1,m) - write(ioout, '(A, 14F9.3)') "T, K ", (solutions(i, 1, k)%eq_soln(2)%T, i=1,m) - write(ioout, '(A, 14E9.3e1)') "rho, kg/m^3 ", (solutions(i, 1, k)%eq_soln(2)%density, i=1,m) - write(ioout, '(A, 14F9.2)') "H, kJ/kg ", (solutions(i, 1, k)%eq_soln(2)%enthalpy, i=1,m) - write(ioout, '(A, 14F9.2)') "U, kJ/kg ", (solutions(i, 1, k)%eq_soln(2)%energy, i=1,m) - write(ioout, '(A, 14F9.1)') "G, kJ/kg ", (solutions(i, 1, k)%eq_soln(2)%gibbs_energy, i=1,m) - write(ioout, '(A, 14F9.2)') "S, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(2)%entropy, i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "u2, m/s ", (solutions(i, 1, k)%u(2), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "P, bar ", (solutions(i, 1, k)%pressure(2), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "T, K ", (solutions(i, 1, k)%eq_soln(2)%T, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "rho, kg/m^3 ", (solutions(i, 1, k)%eq_soln(2)%density, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "H, kJ/kg ", (solutions(i, 1, k)%eq_soln(2)%enthalpy, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "U, kJ/kg ", (solutions(i, 1, k)%eq_soln(2)%energy, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "G, kJ/kg ", (solutions(i, 1, k)%eq_soln(2)%gibbs_energy, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "S, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(2)%entropy, i=1,m) + else + write(ioout, '(A, 14F9.3)') "u2, m/s ", (solutions(i, 1, k)%u(2), i=1,m) + write(ioout, '(A, 14F9.3)') "P, bar ", (solutions(i, 1, k)%pressure(2), i=1,m) + write(ioout, '(A, 14F9.3)') "T, K ", (solutions(i, 1, k)%eq_soln(2)%T, i=1,m) + write(ioout, '(A, 14E9.3e1)') "rho, kg/m^3 ", (solutions(i, 1, k)%eq_soln(2)%density, i=1,m) + write(ioout, '(A, 14F9.2)') "H, kJ/kg ", (solutions(i, 1, k)%eq_soln(2)%enthalpy, i=1,m) + write(ioout, '(A, 14F9.2)') "U, kJ/kg ", (solutions(i, 1, k)%eq_soln(2)%energy, i=1,m) + write(ioout, '(A, 14F9.1)') "G, kJ/kg ", (solutions(i, 1, k)%eq_soln(2)%gibbs_energy, i=1,m) + write(ioout, '(A, 14F9.2)') "S, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(2)%entropy, i=1,m) + end if write(ioout, '(A)') "" - write(ioout, '(A, 14F9.3)') "M, (1/n) ", (1.0d0/solutions(i, 1, k)%eq_soln(2)%n, i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "M, (1/n) ", (1.0d0/solutions(i, 1, k)%eq_soln(2)%n, i=1,m) + else + write(ioout, '(A, 14F9.3)') "M, (1/n) ", (1.0d0/solutions(i, 1, k)%eq_soln(2)%n, i=1,m) + end if if (write_incd_eql) then - write(ioout, '(A, 14F9.3)') "(dln(V)/dln(P))t ", (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnP, i=1,m) - write(ioout, '(A, 14F9.3)') "(dln(V)/dln(T))p ", (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnT, i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(P))t ", (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnP, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(T))p ", (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnT, i=1,m) + else + write(ioout, '(A, 14F9.3)') "(dln(V)/dln(P))t ", (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnP, i=1,m) + write(ioout, '(A, 14F9.3)') "(dln(V)/dln(T))p ", (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnT, i=1,m) + end if + end if + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(2)%cp_eq, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "Gamma_s ", (solutions(i, 1, k)%eq_partials(2)%gamma_s, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "Son. Vel., m/s ", (solutions(i, 1, k)%v_sonic(2), i=1,m) + else + write(ioout, '(A, 14F9.3)') "Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(2)%cp_eq, i=1,m) + write(ioout, '(A, 14F9.3)') "Gamma_s ", (solutions(i, 1, k)%eq_partials(2)%gamma_s, i=1,m) + write(ioout, '(A, 14F9.3)') "Son. Vel., m/s ", (solutions(i, 1, k)%v_sonic(2), i=1,m) end if - write(ioout, '(A, 14F9.3)') "Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(2)%cp_eq, i=1,m) - write(ioout, '(A, 14F9.3)') "Gamma_s ", (solutions(i, 1, k)%eq_partials(2)%gamma_s, i=1,m) - write(ioout, '(A, 14F9.3)') "Son. Vel., m/s ", (solutions(i, 1, k)%v_sonic(2), i=1,m) write(ioout, '(A)') "" if (prob%output%transport .and. solver%eq_solver%transport) then @@ -1185,11 +1240,19 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) end if ! Write the ratios - write(ioout, '(A, 14F9.5)') "P2/P1 ", (solutions(i, 1, k)%p21, i=1,m) - write(ioout, '(A, 14F9.5)') "T2/T1 ", (solutions(i, 1, k)%t21, i=1,m) - write(ioout, '(A, 14F9.5)') "M2/M1 ", (solutions(i, 1, k)%M21, i=1,m) - write(ioout, '(A, 14F9.5)') "rho2/rho1 ", (1.0d0/solutions(i, 1, k)%rho12, i=1,m) - write(ioout, '(A, 14F9.3)') "v2, m/s ", (solutions(i, 1, k)%v2, i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "P2/P1 ", (solutions(i, 1, k)%p21, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "T2/T1 ", (solutions(i, 1, k)%t21, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "M2/M1 ", (solutions(i, 1, k)%M21, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "rho2/rho1 ", (1.0d0/solutions(i, 1, k)%rho12, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "v2, m/s ", (solutions(i, 1, k)%v2, i=1,m) + else + write(ioout, '(A, 14F9.5)') "P2/P1 ", (solutions(i, 1, k)%p21, i=1,m) + write(ioout, '(A, 14F9.5)') "T2/T1 ", (solutions(i, 1, k)%t21, i=1,m) + write(ioout, '(A, 14F9.5)') "M2/M1 ", (solutions(i, 1, k)%M21, i=1,m) + write(ioout, '(A, 14F9.5)') "rho2/rho1 ", (1.0d0/solutions(i, 1, k)%rho12, i=1,m) + write(ioout, '(A, 14F9.3)') "v2, m/s ", (solutions(i, 1, k)%v2, i=1,m) + end if write(ioout, '(A)') "" ! Set the trace output value @@ -1227,7 +1290,8 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) write(ioout, *) "" do idx = 1, solver%eq_solver%num_products if (is_trace(idx) .eqv. .false.) then - eq_fmt = get_shock_species_format(solutions, idx, 1, k, m, 2, prob%output%mass_fractions) + eq_fmt = get_shock_species_format(solutions, idx, 1, k, m, 2, prob%output%mass_fractions, & + prob%output%long) if (prob%output%mass_fractions) then write(ioout, eq_fmt) trim(adjustl(solver%eq_solver%products%species_names(idx))), & (solutions(i, 1, k)%eq_soln(2)%mass_fractions(idx), i=1,m) @@ -1242,7 +1306,11 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) ! Print the list of products with negligible amounts if (write_incd_eql) then write(ioout, '(A)') "PRODUCTS WHICH WERE CONSIDERED BUT WHOSE "// mass_or_mole //" FRACTIONS" - write(ioout, '(A, 1PE13.6 ,A)') "WERE LESS THAN", trace, " FOR ALL ASSIGNED CONDITIONS" + if (prob%output%long) then + call write_long_trace_line(ioout, trace) + else + write(ioout, '(A, 1PE13.6 ,A)') "WERE LESS THAN", trace, " FOR ALL ASSIGNED CONDITIONS" + end if write(ioout, '(A)') "" ncols = 5 nrows = (num_trace - 1)/ncols + 1 @@ -1258,23 +1326,49 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) if (write_refl_eql .or. write_refl_frz) then write(ioout, '(A)') "SHOCKED GAS (5)--REFLECTED--"//refl_type - write(ioout, '(A, 14F9.3)') "u5, m/s ", (solutions(i, 1, k)%u(3), i=1,m) - write(ioout, '(A, 14F9.3)') "P, bar ", (solutions(i, 1, k)%pressure(3), i=1,m) - write(ioout, '(A, 14F9.3)') "T, K ", (solutions(i, 1, k)%eq_soln(3)%T, i=1,m) - write(ioout, '(A, 14E9.3e1)') "rho, kg/m^3 ", (solutions(i, 1, k)%eq_soln(3)%density, i=1,m) - write(ioout, '(A, 14F9.2)') "H, kJ/kg ", (solutions(i, 1, k)%eq_soln(3)%enthalpy, i=1,m) - write(ioout, '(A, 14F9.2)') "U, kJ/kg ", (solutions(i, 1, k)%eq_soln(3)%energy, i=1,m) - write(ioout, '(A, 14F9.1)') "G, kJ/kg ", (solutions(i, 1, k)%eq_soln(3)%gibbs_energy, i=1,m) - write(ioout, '(A, 14F9.2)') "S, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(3)%entropy, i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "u5, m/s ", (solutions(i, 1, k)%u(3), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "P, bar ", (solutions(i, 1, k)%pressure(3), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "T, K ", (solutions(i, 1, k)%eq_soln(3)%T, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "rho, kg/m^3 ", (solutions(i, 1, k)%eq_soln(3)%density, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "H, kJ/kg ", (solutions(i, 1, k)%eq_soln(3)%enthalpy, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "U, kJ/kg ", (solutions(i, 1, k)%eq_soln(3)%energy, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "G, kJ/kg ", (solutions(i, 1, k)%eq_soln(3)%gibbs_energy, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "S, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(3)%entropy, i=1,m) + else + write(ioout, '(A, 14F9.3)') "u5, m/s ", (solutions(i, 1, k)%u(3), i=1,m) + write(ioout, '(A, 14F9.3)') "P, bar ", (solutions(i, 1, k)%pressure(3), i=1,m) + write(ioout, '(A, 14F9.3)') "T, K ", (solutions(i, 1, k)%eq_soln(3)%T, i=1,m) + write(ioout, '(A, 14E9.3e1)') "rho, kg/m^3 ", (solutions(i, 1, k)%eq_soln(3)%density, i=1,m) + write(ioout, '(A, 14F9.2)') "H, kJ/kg ", (solutions(i, 1, k)%eq_soln(3)%enthalpy, i=1,m) + write(ioout, '(A, 14F9.2)') "U, kJ/kg ", (solutions(i, 1, k)%eq_soln(3)%energy, i=1,m) + write(ioout, '(A, 14F9.1)') "G, kJ/kg ", (solutions(i, 1, k)%eq_soln(3)%gibbs_energy, i=1,m) + write(ioout, '(A, 14F9.2)') "S, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(3)%entropy, i=1,m) + end if write(ioout, '(A)') "" - write(ioout, '(A, 14F9.3)') "M, (1/n) ", (1.0d0/solutions(i, 1, k)%eq_soln(3)%n, i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "M, (1/n) ", (1.0d0/solutions(i, 1, k)%eq_soln(3)%n, i=1,m) + else + write(ioout, '(A, 14F9.3)') "M, (1/n) ", (1.0d0/solutions(i, 1, k)%eq_soln(3)%n, i=1,m) + end if if (write_refl_eql) then - write(ioout, '(A, 14F9.3)') "(dln(V)/dln(P))t ", (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnP, i=1,m) - write(ioout, '(A, 14F9.3)') "(dln(V)/dln(T))p ", (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnT, i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(P))t ", (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnP, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(T))p ", (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnT, i=1,m) + else + write(ioout, '(A, 14F9.3)') "(dln(V)/dln(P))t ", (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnP, i=1,m) + write(ioout, '(A, 14F9.3)') "(dln(V)/dln(T))p ", (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnT, i=1,m) + end if + end if + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(3)%cp_eq, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "Gamma_s ", (solutions(i, 1, k)%eq_partials(3)%gamma_s, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "Son. Vel., m/s ", (solutions(i, 1, k)%v_sonic(3), i=1,m) + else + write(ioout, '(A, 14F9.3)') "Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(3)%cp_eq, i=1,m) + write(ioout, '(A, 14F9.3)') "Gamma_s ", (solutions(i, 1, k)%eq_partials(3)%gamma_s, i=1,m) + write(ioout, '(A, 14F9.3)') "Son. Vel., m/s ", (solutions(i, 1, k)%v_sonic(3), i=1,m) end if - write(ioout, '(A, 14F9.3)') "Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(3)%cp_eq, i=1,m) - write(ioout, '(A, 14F9.3)') "Gamma_s ", (solutions(i, 1, k)%eq_partials(3)%gamma_s, i=1,m) - write(ioout, '(A, 14F9.3)') "Son. Vel., m/s ", (solutions(i, 1, k)%v_sonic(3), i=1,m) write(ioout, '(A)') "" if (prob%output%transport .and. solver%eq_solver%transport) then @@ -1282,11 +1376,19 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) end if ! Write the ratios - write(ioout, '(A, 14F9.5)') "P5/P2 ", (solutions(i, 1, k)%p52, i=1,m) - write(ioout, '(A, 14F9.5)') "T5/T2 ", (solutions(i, 1, k)%t52, i=1,m) - write(ioout, '(A, 14F9.5)') "M5/M2 ", (solutions(i, 1, k)%M52, i=1,m) - write(ioout, '(A, 14F9.5)') "rho5/rho2 ", (solutions(i, 1, k)%rho52, i=1,m) - write(ioout, '(A, 14F9.3)') "u5+v2, m/s ", (solutions(i, 1, k)%u5_p_v2, i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') "P5/P2 ", (solutions(i, 1, k)%p52, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "T5/T2 ", (solutions(i, 1, k)%t52, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "M5/M2 ", (solutions(i, 1, k)%M52, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "rho5/rho2 ", (solutions(i, 1, k)%rho52, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "u5+v2, m/s ", (solutions(i, 1, k)%u5_p_v2, i=1,m) + else + write(ioout, '(A, 14F9.5)') "P5/P2 ", (solutions(i, 1, k)%p52, i=1,m) + write(ioout, '(A, 14F9.5)') "T5/T2 ", (solutions(i, 1, k)%t52, i=1,m) + write(ioout, '(A, 14F9.5)') "M5/M2 ", (solutions(i, 1, k)%M52, i=1,m) + write(ioout, '(A, 14F9.5)') "rho5/rho2 ", (solutions(i, 1, k)%rho52, i=1,m) + write(ioout, '(A, 14F9.3)') "u5+v2, m/s ", (solutions(i, 1, k)%u5_p_v2, i=1,m) + end if write(ioout, '(A)') "" ! Set the trace output value @@ -1324,7 +1426,8 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) write(ioout, *) "" do idx = 1, solver%eq_solver%num_products if (is_trace(idx) .eqv. .false.) then - eq_fmt = get_shock_species_format(solutions, idx, 1, k, m, 3, prob%output%mass_fractions) + eq_fmt = get_shock_species_format(solutions, idx, 1, k, m, 3, prob%output%mass_fractions, & + prob%output%long) if (prob%output%mass_fractions) then write(ioout, eq_fmt) trim(adjustl(solver%eq_solver%products%species_names(idx))), & (solutions(i, 1, k)%eq_soln(3)%mass_fractions(idx), i=1,m) @@ -1339,7 +1442,11 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) ! Print the list of products with negligible amounts if (write_refl_eql) then write(ioout, '(A)') "PRODUCTS WHICH WERE CONSIDERED BUT WHOSE "// mass_or_mole //" FRACTIONS" - write(ioout, '(A, 1PE13.6 ,A)') "WERE LESS THAN", trace, " FOR ALL ASSIGNED CONDITIONS" + if (prob%output%long) then + call write_long_trace_line(ioout, trace) + else + write(ioout, '(A, 1PE13.6 ,A)') "WERE LESS THAN", trace, " FOR ALL ASSIGNED CONDITIONS" + end if write(ioout, '(A)') "" ncols = 5 nrows = (num_trace - 1)/ncols + 1 @@ -1372,37 +1479,74 @@ subroutine write_shock_transport(ioout, prob, solutions, m, k, idx, include_equi end if write(ioout, '(A)') "" - write(ioout, '(A, 14F9.4)') " Visc, Millipoise", (solutions(i, 1, k)%eq_soln(idx)%viscosity, i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') " Visc, Millipoise", & + (solutions(i, 1, k)%eq_soln(idx)%viscosity, i=1,m) + else + write(ioout, '(A, 14F9.4)') " Visc, Millipoise", (solutions(i, 1, k)%eq_soln(idx)%viscosity, i=1,m) + end if write(ioout, '(A)') "" if (include_equilibrium) then write(ioout, '(A)') " WITH EQUILIBRIUM REACTIONS" - if (prob%output%siunit) then - write(ioout, '(A, 14F9.4)') " Cp, kJ/(kg-K) ", & - (merge(solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport, solutions(i, 1, k)%eq_soln(idx)%cp_eq, & - solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport > 0.0d0), i=1,m) - write(ioout, '(A, 14F9.4)') " Conductivity ", (solutions(i, 1, k)%eq_soln(idx)%conductivity_eq, i=1,m) + if (prob%output%long) then + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/(kg-K) ", & + (merge(solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport, & + solutions(i, 1, k)%eq_soln(idx)%cp_eq, & + solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport > 0.0d0), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + (solutions(i, 1, k)%eq_soln(idx)%conductivity_eq, i=1,m) + else + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/(g-K) ", & + (merge(solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport, & + solutions(i, 1, k)%eq_soln(idx)%cp_eq, & + solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport > 0.0d0)/4.184d0, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + (solutions(i, 1, k)%eq_soln(idx)%conductivity_eq/4.184d0, i=1,m) + end if + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", & + (solutions(i, 1, k)%eq_soln(idx)%Pr_eq, i=1,m) else - write(ioout, '(A, 14F9.4)') " Cp, cal/(g-K) ", & - (merge(solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport, solutions(i, 1, k)%eq_soln(idx)%cp_eq, & - solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport > 0.0d0)/4.184d0, i=1,m) - write(ioout, '(A, 14F9.4)') " Conductivity ", & - (solutions(i, 1, k)%eq_soln(idx)%conductivity_eq/4.184d0, i=1,m) + if (prob%output%siunit) then + write(ioout, '(A, 14F9.4)') " Cp, kJ/(kg-K) ", & + (merge(solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport, solutions(i, 1, k)%eq_soln(idx)%cp_eq, & + solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport > 0.0d0), i=1,m) + write(ioout, '(A, 14F9.4)') " Conductivity ", (solutions(i, 1, k)%eq_soln(idx)%conductivity_eq, i=1,m) + else + write(ioout, '(A, 14F9.4)') " Cp, cal/(g-K) ", & + (merge(solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport, solutions(i, 1, k)%eq_soln(idx)%cp_eq, & + solutions(i, 1, k)%eq_soln(idx)%cp_eq_transport > 0.0d0)/4.184d0, i=1,m) + write(ioout, '(A, 14F9.4)') " Conductivity ", & + (solutions(i, 1, k)%eq_soln(idx)%conductivity_eq/4.184d0, i=1,m) + end if + write(ioout, '(A, 14F9.4)') " Prandtl Number ", (solutions(i, 1, k)%eq_soln(idx)%Pr_eq, i=1,m) end if - write(ioout, '(A, 14F9.4)') " Prandtl Number ", (solutions(i, 1, k)%eq_soln(idx)%Pr_eq, i=1,m) write(ioout, '(A)') "" end if write(ioout, '(A)') " WITH FROZEN REACTIONS" - if (prob%output%siunit) then - write(ioout, '(A, 14F9.4)') " Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(idx)%cp_fr, i=1,m) - write(ioout, '(A, 14F9.4)') " Conductivity ", (solutions(i, 1, k)%eq_soln(idx)%conductivity_fr, i=1,m) + if (prob%output%long) then + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(idx)%cp_fr, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", (solutions(i, 1, k)%eq_soln(idx)%conductivity_fr, i=1,m) + else + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/(g-K) ", (solutions(i, 1, k)%eq_soln(idx)%cp_fr/4.184d0, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + (solutions(i, 1, k)%eq_soln(idx)%conductivity_fr/4.184d0, i=1,m) + end if + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", (solutions(i, 1, k)%eq_soln(idx)%Pr_fr, i=1,m) else - write(ioout, '(A, 14F9.4)') " Cp, cal/(g-K) ", (solutions(i, 1, k)%eq_soln(idx)%cp_fr/4.184d0, i=1,m) - write(ioout, '(A, 14F9.4)') " Conductivity ", & - (solutions(i, 1, k)%eq_soln(idx)%conductivity_fr/4.184d0, i=1,m) + if (prob%output%siunit) then + write(ioout, '(A, 14F9.4)') " Cp, kJ/(kg-K) ", (solutions(i, 1, k)%eq_soln(idx)%cp_fr, i=1,m) + write(ioout, '(A, 14F9.4)') " Conductivity ", (solutions(i, 1, k)%eq_soln(idx)%conductivity_fr, i=1,m) + else + write(ioout, '(A, 14F9.4)') " Cp, cal/(g-K) ", (solutions(i, 1, k)%eq_soln(idx)%cp_fr/4.184d0, i=1,m) + write(ioout, '(A, 14F9.4)') " Conductivity ", & + (solutions(i, 1, k)%eq_soln(idx)%conductivity_fr/4.184d0, i=1,m) + end if + write(ioout, '(A, 14F9.4)') " Prandtl Number ", (solutions(i, 1, k)%eq_soln(idx)%Pr_fr, i=1,m) end if - write(ioout, '(A, 14F9.4)') " Prandtl Number ", (solutions(i, 1, k)%eq_soln(idx)%Pr_fr, i=1,m) write(ioout, '(A)') "" end subroutine @@ -1439,7 +1583,45 @@ subroutine deton_output(ioout, prob, solver, solutions) write(ioout, '(A)') ' UNBURNED GAS' write(ioout, *) "" - if (prob%output%siunit) then + if (prob%output%long) then + + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') ' P, bar ', ((solutions(i, j, k)%pressure, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' T, K ', ((solutions(i, j, k)%eq_soln%T, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Density, kg/m^3 ', ((solutions(i, j, k)%eq_soln%density, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' H, kJ/kg ', ((solutions(i, j, k)%eq_soln%enthalpy, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' U, kJ/kg ', ((solutions(i, j, k)%eq_soln%energy, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' G, kJ/kg ', ((solutions(i, j, k)%eq_soln%gibbs_energy, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' S, kJ/kg-K ', ((solutions(i, j, k)%eq_soln%entropy, j=1,n), i=1,m) + write(ioout, *) "" + write(ioout, '(A, *(1X, ES23.15E3))') ' M, (1/n) ', ((1.0d0/solutions(i, j, k)%eq_soln%n, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(P))t', ((solutions(i, j, k)%eq_partials%dlnV_dlnP, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(T))p', ((solutions(i, j, k)%eq_partials%dlnV_dlnT, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Cp, kJ/kg-K ', ((solutions(i, j, k)%eq_soln%cp_eq, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Gamma_s ', ((solutions(i, j, k)%eq_partials%gamma_s, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Son. Vel., m/s ', & + ((sqrt(solutions(i, j, k)%eq_soln%n*R*solutions(i, j, k)%eq_partials%gamma_s* & + solutions(i, j, k)%eq_soln%T), j=1,n), i=1,m) + else + write(ioout, '(A, *(1X, ES23.15E3))') ' P, atm ', ((solutions(i, j, k)%pressure/1.01325d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' T, K ', ((solutions(i, j, k)%eq_soln%T, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Density, g/cc ', ((solutions(i, j, k)%eq_soln%density/1.d3, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' H, cal/g ', ((solutions(i, j, k)%eq_soln%enthalpy/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' U, cal/g ', ((solutions(i, j, k)%eq_soln%energy/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' G, cal/g ', ((solutions(i, j, k)%eq_soln%gibbs_energy/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' S, cal/g-K ', ((solutions(i, j, k)%eq_soln%entropy/4.184d0, j=1,n), i=1,m) + write(ioout, *) "" + write(ioout, '(A, *(1X, ES23.15E3))') ' M, (1/n) ', ((1.0d0/solutions(i, j, k)%eq_soln%n, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(P))t', ((solutions(i, j, k)%eq_partials%dlnV_dlnP, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(T))p', ((solutions(i, j, k)%eq_partials%dlnV_dlnT, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Cp, cal/g-K ', ((solutions(i, j, k)%eq_soln%cp_eq/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Gamma_s ', ((solutions(i, j, k)%eq_partials%gamma_s, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Son. Vel., m/s ', & + ((sqrt(solutions(i, j, k)%eq_soln%n*R*solutions(i, j, k)%eq_partials%gamma_s* & + solutions(i, j, k)%eq_soln%T), j=1,n), i=1,m) + end if + + else if (prob%output%siunit) then ! Print the values of each variable in the required format write(ioout, '(A, 14F9.4)') ' P1, bar ', ((solutions(i, j, k)%P1, j=1,n), i=1,m) @@ -1515,45 +1697,82 @@ subroutine deton_output(ioout, prob, solver, solutions) write(ioout, *) "" ! Viscosity - write(ioout, '(A, 14F9.4)') " Visc, Millipoise", ((solutions(i, j, k)%eq_soln%viscosity, j=1,n), i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') " Visc, Millipoise", ((solutions(i, j, k)%eq_soln%viscosity, j=1,n), i=1,m) + else + write(ioout, '(A, 14F9.4)') " Visc, Millipoise", ((solutions(i, j, k)%eq_soln%viscosity, j=1,n), i=1,m) + end if write(ioout, *) "" ! Equilibrium properies write(ioout, '(A)') " WITH EQUILIBRIUM REACTIONS" - if (prob%output%siunit) then - write(ioout, '(A, 14F9.4)') " Cp, kJ/kg-K ", ((solutions(i, j, k)%eq_soln%cp_eq, j=1,n), i=1,m) - write(ioout, '(A, 14F9.4)') " Conductivity ", ((solutions(i, j, k)%eq_soln%conductivity_eq, j=1,n), i=1,m) + if (prob%output%long) then + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/kg-K ", ((solutions(i, j, k)%eq_soln%cp_eq, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", ((solutions(i, j, k)%eq_soln%conductivity_eq, j=1,n), i=1,m) + else + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/g-K ", ((solutions(i, j, k)%eq_soln%cp_eq/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + ((solutions(i, j, k)%eq_soln%conductivity_eq/4.184d0, j=1,n), i=1,m) + end if + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", ((solutions(i, j, k)%eq_soln%Pr_eq, j=1,n), i=1,m) else - write(ioout, '(A, 14F9.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%eq_soln%cp_eq/4.184d0, j=1,n), i=1,m) - write(ioout, '(A, 14F9.4)') " Conductivity ", & - ((solutions(i, j, k)%eq_soln%conductivity_eq/4.184d0, j=1,n), i=1,m) + if (prob%output%siunit) then + write(ioout, '(A, 14F9.4)') " Cp, kJ/kg-K ", ((solutions(i, j, k)%eq_soln%cp_eq, j=1,n), i=1,m) + write(ioout, '(A, 14F9.4)') " Conductivity ", ((solutions(i, j, k)%eq_soln%conductivity_eq, j=1,n), i=1,m) + else + write(ioout, '(A, 14F9.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%eq_soln%cp_eq/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, 14F9.4)') " Conductivity ", & + ((solutions(i, j, k)%eq_soln%conductivity_eq/4.184d0, j=1,n), i=1,m) + end if + write(ioout, '(A, 14F9.4)') " Prandtl Number ", ((solutions(i, j, k)%eq_soln%Pr_eq, j=1,n), i=1,m) end if - write(ioout, '(A, 14F9.4)') " Prandtl Number ", ((solutions(i, j, k)%eq_soln%Pr_eq, j=1,n), i=1,m) write(ioout, *) "" ! Frozen properties write(ioout, '(A)') " WITH FROZEN REACTIONS" - if (prob%output%siunit) then - write(ioout, '(A, 14F9.4)') " Cp, kJ/kg-K ", ((solutions(i, j, k)%eq_soln%cp_fr, j=1,n), i=1,m) - write(ioout, '(A, 14F9.4)') " Conductivity ", ((solutions(i, j, k)%eq_soln%conductivity_fr, j=1,n), i=1,m) + if (prob%output%long) then + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/kg-K ", ((solutions(i, j, k)%eq_soln%cp_fr, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", ((solutions(i, j, k)%eq_soln%conductivity_fr, j=1,n), i=1,m) + else + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/g-K ", ((solutions(i, j, k)%eq_soln%cp_fr/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + ((solutions(i, j, k)%eq_soln%conductivity_fr/4.184d0, j=1,n), i=1,m) + end if + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", ((solutions(i, j, k)%eq_soln%Pr_fr, j=1,n), i=1,m) else - write(ioout, '(A, 14F9.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%eq_soln%cp_fr/4.184d0, j=1,n), i=1,m) - write(ioout, '(A, 14F9.4)') " Conductivity ", & - ((solutions(i, j, k)%eq_soln%conductivity_fr/4.184d0, j=1,n), i=1,m) + if (prob%output%siunit) then + write(ioout, '(A, 14F9.4)') " Cp, kJ/kg-K ", ((solutions(i, j, k)%eq_soln%cp_fr, j=1,n), i=1,m) + write(ioout, '(A, 14F9.4)') " Conductivity ", ((solutions(i, j, k)%eq_soln%conductivity_fr, j=1,n), i=1,m) + else + write(ioout, '(A, 14F9.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%eq_soln%cp_fr/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, 14F9.4)') " Conductivity ", & + ((solutions(i, j, k)%eq_soln%conductivity_fr/4.184d0, j=1,n), i=1,m) + end if + write(ioout, '(A, 14F9.4)') " Prandtl Number ", ((solutions(i, j, k)%eq_soln%Pr_fr, j=1,n), i=1,m) end if - write(ioout, '(A, 14F9.4)') " Prandtl Number ", ((solutions(i, j, k)%eq_soln%Pr_fr, j=1,n), i=1,m) write(ioout, *) "" end if ! Write out the detonation parameters write(ioout,'(A)') " DETONATION PARAMETERS" - write(ioout, '(A, 14F9.4)') " P/P1 ", ((solutions(i, j, k)%P_P1, j=1,n), i=1,m) - write(ioout, '(A, 14F9.4)') " T/T1 ", ((solutions(i, j, k)%T_T1, j=1,n), i=1,m) - write(ioout, '(A, 14F9.4)') " M/M1 ", ((solutions(i, j, k)%M_M1, j=1,n), i=1,m) - write(ioout, '(A, 14F9.4)') " rho/rho1 ", ((solutions(i, j, k)%rho_rho1, j=1,n), i=1,m) - write(ioout, '(A, 14F9.4)') " Det. Mach Number ", ((solutions(i, j, k)%mach, j=1,n), i=1,m) - write(ioout, '(A, 14F9.3)') " Det. Vel., m/s ", ((solutions(i, j, k)%velocity, j=1,n), i=1,m) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') " P/P1 ", ((solutions(i, j, k)%P_P1, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " T/T1 ", ((solutions(i, j, k)%T_T1, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " M/M1 ", ((solutions(i, j, k)%M_M1, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " rho/rho1 ", ((solutions(i, j, k)%rho_rho1, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Det. Mach Number ", ((solutions(i, j, k)%mach, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Det. Vel., m/s ", ((solutions(i, j, k)%velocity, j=1,n), i=1,m) + else + write(ioout, '(A, 14F9.4)') " P/P1 ", ((solutions(i, j, k)%P_P1, j=1,n), i=1,m) + write(ioout, '(A, 14F9.4)') " T/T1 ", ((solutions(i, j, k)%T_T1, j=1,n), i=1,m) + write(ioout, '(A, 14F9.4)') " M/M1 ", ((solutions(i, j, k)%M_M1, j=1,n), i=1,m) + write(ioout, '(A, 14F9.4)') " rho/rho1 ", ((solutions(i, j, k)%rho_rho1, j=1,n), i=1,m) + write(ioout, '(A, 14F9.4)') " Det. Mach Number ", ((solutions(i, j, k)%mach, j=1,n), i=1,m) + write(ioout, '(A, 14F9.3)') " Det. Vel., m/s ", ((solutions(i, j, k)%velocity, j=1,n), i=1,m) + end if ! Set the trace output value trace = 5.d-6 @@ -1585,7 +1804,8 @@ subroutine deton_output(ioout, prob, solver, solutions) write(ioout, *) "" do idx = 1, solver%eq_solver%num_products if (.not. is_trace(idx)) then - eq_fmt = get_deton_species_format(solutions, idx, k, m, n, prob%output%mass_fractions) + eq_fmt = get_deton_species_format(solutions, idx, k, m, n, prob%output%mass_fractions, & + prob%output%long) if (prob%output%mass_fractions) then write(ioout, eq_fmt) trim(adjustl(solver%eq_solver%products%species_names(idx))), & ((solutions(i, j, k)%eq_soln%mass_fractions(idx), j=1,n), i=1,m) @@ -1599,7 +1819,11 @@ subroutine deton_output(ioout, prob, solver, solutions) ! Print the list of products with negligible amounts write(ioout, '(A)') "" write(ioout, '(A)') "PRODUCTS WHICH WERE CONSIDERED BUT WHOSE "// mass_or_mole //" FRACTIONS" - write(ioout, '(A, 1PE13.6 ,A)') "WERE LESS THAN", trace, " FOR ALL ASSIGNED CONDITIONS" + if (prob%output%long) then + call write_long_trace_line(ioout, trace) + else + write(ioout, '(A, 1PE13.6 ,A)') "WERE LESS THAN", trace, " FOR ALL ASSIGNED CONDITIONS" + end if write(ioout, '(A)') "" ncols = 5 nrows = (num_trace - 1)/ncols + 1 @@ -1964,21 +2188,90 @@ subroutine thermo_output(ioout, prob, solver, solutions, partials) if (reactant_temp > 0.0d0) then reactant_energy = solver%reactants%species(i)%calc_enthalpy(reactant_temp)*R/1.0d3 end if - write(ioout, "(A20, F10.3, 1X, F11.3, F10.2)") solver%reactants%species_names(i), & - reactant_amount, reactant_energy, reactant_temp + if (prob%output%long) then + call write_long_reactant_row(ioout, solver%reactants%species_names(i), reactant_amount, & + reactant_energy, reactant_temp) + else + write(ioout, "(A20, F10.3, 1X, F11.3, F10.2)") solver%reactants%species_names(i), & + reactant_amount, reactant_energy, reactant_temp + end if end do ! Print the o/f ratio and equivalent values call compute_fuel_ratios(prob, solver%reactants, k, of_ratio, pct_fuel, r_eq, phi_eq) - write(ioout, '(A, F10.5, A, F9.5, A, F8.5, A, F8.5)') 'O/F = ', & - of_ratio, ' % Fuel = ', pct_fuel, ' r, Eq. Ratio = ', r_eq, ' phi, Eq. Ratio = ', phi_eq + if (prob%output%long) then + call write_long_ratio_line(ioout, of_ratio, pct_fuel, r_eq, phi_eq) + else + write(ioout, '(A, F10.5, A, F9.5, A, F8.5, A, F8.5)') 'O/F = ', & + of_ratio, ' % Fuel = ', pct_fuel, ' r, Eq. Ratio = ', r_eq, ' phi, Eq. Ratio = ', phi_eq + end if ! Print the thermodynamic properties write(ioout, *) "" write(ioout, '(A)') ' THERMODYNAMIC PROPERTIES' write(ioout, *) "" - if (prob%output%siunit) then + if (prob%output%long) then + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') ' P, bar ', & + ((solutions(i, j, k)%pressure, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' T, K ', & + ((solutions(i, j, k)%T, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' Density, kg/m^3 ', & + ((solutions(i, j, k)%density, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' H, kJ/kg ', & + ((solutions(i, j, k)%enthalpy, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' U, kJ/kg ', & + ((solutions(i, j, k)%energy, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' G, kJ/kg ', & + ((solutions(i, j, k)%gibbs_energy, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' S, kJ/kg-K ', & + ((solutions(i, j, k)%entropy, i=1,m), j=1,n) + write(ioout, *) "" + write(ioout, '(A, *(1X, ES23.15E3))') ' M, (1/n) ', & + ((1.0d0/solutions(i, j, k)%n, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(P))t', & + ((partials(i, j, k)%dlnV_dlnP, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(T))p', & + ((partials(i, j, k)%dlnV_dlnT, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' Cp, kJ/kg-K ', & + ((solutions(i, j, k)%cp_eq, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' Gamma_s ', & + ((partials(i, j, k)%gamma_s, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' Son. Vel., m/s ', & + ((sqrt(solutions(i, j, k)%n * R * partials(i, j, k)%gamma_s * & + solutions(i, j, k)%T), i=1,m), j=1,n) + else + write(ioout, '(A, *(1X, ES23.15E3))') ' P, atm ', & + ((solutions(i, j, k)%pressure/1.01325d0, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' T, K ', & + ((solutions(i, j, k)%T, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' Density, g/cc ', & + ((solutions(i, j, k)%density/1.d3, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' H, cal/g ', & + ((solutions(i, j, k)%enthalpy/4.184d0, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' U, cal/g ', & + ((solutions(i, j, k)%energy/4.184d0, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' G, cal/g ', & + ((solutions(i, j, k)%gibbs_energy/4.184d0, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' S, cal/g-K ', & + ((solutions(i, j, k)%entropy/4.184d0, i=1,m), j=1,n) + write(ioout, *) "" + write(ioout, '(A, *(1X, ES23.15E3))') ' M, (1/n) ', & + ((1.0d0/solutions(i, j, k)%n, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(P))t', & + ((partials(i, j, k)%dlnV_dlnP, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(T))p', & + ((partials(i, j, k)%dlnV_dlnT, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' Cp, cal/g-K ', & + ((solutions(i, j, k)%cp_eq/4.184d0, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' Gamma_s ', & + ((partials(i, j, k)%gamma_s, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') ' Son. Vel., m/s ', & + ((sqrt(solutions(i, j, k)%n * R * partials(i, j, k)%gamma_s * & + solutions(i, j, k)%T), i=1,m), j=1,n) + end if + else if (prob%output%siunit) then ! Print the values of each variable in the required format write(ioout, '(A, 18F14.5)') ' P, bar ', ((solutions(i, j, k)%pressure, i=1,m), j=1,n) @@ -2026,31 +2319,68 @@ subroutine thermo_output(ioout, prob, solver, solutions, partials) write(ioout, *) "" ! Viscosity - write(ioout, '(A, 18F14.4)') " Visc, Millipoise", ((solutions(i, j, k)%viscosity, i=1,m), j=1,n) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') " Visc, Millipoise", & + ((solutions(i, j, k)%viscosity, i=1,m), j=1,n) + else + write(ioout, '(A, 18F14.4)') " Visc, Millipoise", ((solutions(i, j, k)%viscosity, i=1,m), j=1,n) + end if write(ioout, *) "" ! Equilibrium properies write(ioout, '(A)') " WITH EQUILIBRIUM REACTIONS" - if (prob%output%siunit) then - write(ioout, '(A, 18F14.4)') " Cp, kJ/kg-K ", ((solutions(i, j, k)%cp_eq, i=1,m), j=1,n) - write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_eq, i=1,m), j=1,n) + if (prob%output%long) then + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/kg-K ", & + ((solutions(i, j, k)%cp_eq, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + ((solutions(i, j, k)%conductivity_eq, i=1,m), j=1,n) + else + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/g-K ", & + ((solutions(i, j, k)%cp_eq/4.184d0, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + ((solutions(i, j, k)%conductivity_eq/4.184d0, i=1,m), j=1,n) + end if + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", & + ((solutions(i, j, k)%Pr_eq, i=1,m), j=1,n) else - write(ioout, '(A, 18F14.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%cp_eq/4.184d0, i=1,m), j=1,n) - write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_eq/4.184d0, i=1,m), j=1,n) + if (prob%output%siunit) then + write(ioout, '(A, 18F14.4)') " Cp, kJ/kg-K ", ((solutions(i, j, k)%cp_eq, i=1,m), j=1,n) + write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_eq, i=1,m), j=1,n) + else + write(ioout, '(A, 18F14.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%cp_eq/4.184d0, i=1,m), j=1,n) + write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_eq/4.184d0, i=1,m), j=1,n) + end if + write(ioout, '(A, 18F14.4)') " Prandtl Number ", ((solutions(i, j, k)%Pr_eq, i=1,m), j=1,n) end if - write(ioout, '(A, 18F14.4)') " Prandtl Number ", ((solutions(i, j, k)%Pr_eq, i=1,m), j=1,n) write(ioout, *) "" ! Frozen properties write(ioout, '(A)') " WITH FROZEN REACTIONS" - if (prob%output%siunit) then - write(ioout, '(A, 18F14.4)') " Cp, kJ/kg-K ", ((solutions(i, j, k)%cp_fr, i=1,m), j=1,n) - write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_fr, i=1,m), j=1,n) + if (prob%output%long) then + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/kg-K ", & + ((solutions(i, j, k)%cp_fr, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + ((solutions(i, j, k)%conductivity_fr, i=1,m), j=1,n) + else + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/g-K ", & + ((solutions(i, j, k)%cp_fr/4.184d0, i=1,m), j=1,n) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + ((solutions(i, j, k)%conductivity_fr/4.184d0, i=1,m), j=1,n) + end if + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", & + ((solutions(i, j, k)%Pr_fr, i=1,m), j=1,n) else - write(ioout, '(A, 18F14.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%cp_fr/4.184d0, i=1,m), j=1,n) - write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_fr/4.184d0, i=1,m), j=1,n) + if (prob%output%siunit) then + write(ioout, '(A, 18F14.4)') " Cp, kJ/kg-K ", ((solutions(i, j, k)%cp_fr, i=1,m), j=1,n) + write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_fr, i=1,m), j=1,n) + else + write(ioout, '(A, 18F14.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%cp_fr/4.184d0, i=1,m), j=1,n) + write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_fr/4.184d0, i=1,m), j=1,n) + end if + write(ioout, '(A, 18F14.4)') " Prandtl Number ", ((solutions(i, j, k)%Pr_fr, i=1,m), j=1,n) end if - write(ioout, '(A, 18F14.4)') " Prandtl Number ", ((solutions(i, j, k)%Pr_fr, i=1,m), j=1,n) write(ioout, *) "" end if @@ -2085,7 +2415,8 @@ subroutine thermo_output(ioout, prob, solver, solutions, partials) write(ioout, *) "" do idx = 1, solver%num_products if (is_trace(idx) .eqv. .false.) then - eq_fmt = get_eq_species_format(solutions, idx, k, m, n, prob%output%mass_fractions) + eq_fmt = get_eq_species_format(solutions, idx, k, m, n, prob%output%mass_fractions, & + prob%output%long) if (prob%output%mass_fractions) then write(ioout, eq_fmt) trim(adjustl(solver%products%species_names(idx))), & ((solutions(i, j, k)%mass_fractions(idx), i=1,m), j=1,n) @@ -2099,7 +2430,11 @@ subroutine thermo_output(ioout, prob, solver, solutions, partials) ! Print the list of products with negligible amounts write(ioout, '(A)') "" write(ioout, '(A)') "PRODUCTS WHICH WERE CONSIDERED BUT WHOSE "// mass_or_mole //" FRACTIONS" - write(ioout, '(A, 1PE13.6 ,A)') "WERE LESS THAN", trace, " FOR ALL ASSIGNED CONDITIONS" + if (prob%output%long) then + call write_long_trace_line(ioout, trace) + else + write(ioout, '(A, 1PE13.6 ,A)') "WERE LESS THAN", trace, " FOR ALL ASSIGNED CONDITIONS" + end if write(ioout, '(A)') "" ncols = 5 nrows = (num_trace - 1)/ncols + 1 @@ -2310,25 +2645,40 @@ subroutine rocket_output(ioout, prob, solver, solutions) ! Print assigned pressure/area ratio schedules. if (allocated(prob%problem%pcp_schedule)) then - write(ioout, '(A)', advance='no') trim(prob%problem%pcp_schedule%name)//" = " - do idx = 1, size(prob%problem%pcp_schedule%values) - write(ioout, '(F10.4)', advance='no') prob%problem%pcp_schedule%values(idx) - end do - write(ioout, *) + if (prob%output%long) then + call write_long_schedule_line(ioout, prob%problem%pcp_schedule%name, & + prob%problem%pcp_schedule%values) + else + write(ioout, '(A)', advance='no') trim(prob%problem%pcp_schedule%name)//" = " + do idx = 1, size(prob%problem%pcp_schedule%values) + write(ioout, '(F10.4)', advance='no') prob%problem%pcp_schedule%values(idx) + end do + write(ioout, *) + end if end if if (allocated(prob%problem%subar_schedule)) then - write(ioout, '(A)', advance='no') trim(prob%problem%subar_schedule%name)//" = " - do idx = 1, size(prob%problem%subar_schedule%values) - write(ioout, '(F10.4)', advance='no') prob%problem%subar_schedule%values(idx) - end do - write(ioout, *) + if (prob%output%long) then + call write_long_schedule_line(ioout, prob%problem%subar_schedule%name, & + prob%problem%subar_schedule%values) + else + write(ioout, '(A)', advance='no') trim(prob%problem%subar_schedule%name)//" = " + do idx = 1, size(prob%problem%subar_schedule%values) + write(ioout, '(F10.4)', advance='no') prob%problem%subar_schedule%values(idx) + end do + write(ioout, *) + end if end if if (allocated(prob%problem%supar_schedule)) then - write(ioout, '(A)', advance='no') trim(prob%problem%supar_schedule%name)//" = " - do idx = 1, size(prob%problem%supar_schedule%values) - write(ioout, '(F10.4)', advance='no') prob%problem%supar_schedule%values(idx) - end do - write(ioout, *) + if (prob%output%long) then + call write_long_schedule_line(ioout, prob%problem%supar_schedule%name, & + prob%problem%supar_schedule%values) + else + write(ioout, '(A)', advance='no') trim(prob%problem%supar_schedule%name)//" = " + do idx = 1, size(prob%problem%supar_schedule%values) + write(ioout, '(F10.4)', advance='no') prob%problem%supar_schedule%values(idx) + end do + write(ioout, *) + end if end if write(ioout,*) "" @@ -2353,37 +2703,114 @@ subroutine rocket_output(ioout, prob, solver, solutions) if (reactant_temp > 0.0d0) then reactant_energy = solver%eq_solver%reactants%species(idx)%calc_enthalpy(reactant_temp)*R/1.0d3 end if - write(ioout, "(A20, F10.3, 1X, F11.3, F10.2)") solver%eq_solver%reactants%species_names(idx), & - reactant_amount, reactant_energy, reactant_temp + if (prob%output%long) then + call write_long_reactant_row(ioout, solver%eq_solver%reactants%species_names(idx), & + reactant_amount, reactant_energy, reactant_temp) + else + write(ioout, "(A20, F10.3, 1X, F11.3, F10.2)") solver%eq_solver%reactants%species_names(idx), & + reactant_amount, reactant_energy, reactant_temp + end if end do write(ioout,*) "" ! Print the o/f ratio and equivalent values call compute_fuel_ratios(prob, solver%eq_solver%reactants, j, of_ratio, pct_fuel, r_eq, phi_eq) - write(ioout, '(A, F10.5, A, F9.5, A, F8.5, A, F8.5)') & - 'O/F = ', of_ratio, ' % Fuel = ', pct_fuel, ' r, Eq. Ratio = ', r_eq, ' phi, Eq. Ratio = ', phi_eq + if (prob%output%long) then + call write_long_ratio_line(ioout, of_ratio, pct_fuel, r_eq, phi_eq) + else + write(ioout, '(A, F10.5, A, F9.5, A, F8.5, A, F8.5)') & + 'O/F = ', of_ratio, ' % Fuel = ', pct_fuel, ' r, Eq. Ratio = ', r_eq, ' phi, Eq. Ratio = ', phi_eq + end if write(ioout,*) "" ! Print the header with station names aligned to F13.x value columns. - write(ioout, '(/,A)', advance='no') repeat(' ', 18) - if (prob%problem%rkt_finite_area) then - write(ioout, '(A13)', advance='no') "INJECTOR" - write(ioout, '(A13)', advance='no') "COMB END" + if (prob%output%long) then + call write_long_station_header(ioout, prob%problem%rkt_finite_area, ne) else - write(ioout, '(A13)', advance='no') "CHAMBER" + write(ioout, '(/,A)', advance='no') repeat(' ', 18) + if (prob%problem%rkt_finite_area) then + write(ioout, '(A13)', advance='no') "INJECTOR" + write(ioout, '(A13)', advance='no') "COMB END" + else + write(ioout, '(A13)', advance='no') "CHAMBER" + end if + write(ioout, '(A13)', advance='no') "THROAT" + do idx = 1, ne + write(ioout, '(A13)', advance='no') "EXIT" + end do + write(ioout, *) end if - write(ioout, '(A13)', advance='no') "THROAT" - do idx = 1, ne - write(ioout, '(A13)', advance='no') "EXIT" - end do - write(ioout, *) ! Print the rocket properties - write(ioout, pinj_fmt) (solutions(i,j,k)%pressure(1)/solutions(i,j,k)%pressure(idx), idx=1,np) - if (prob%output%siunit) then - write(ioout, p_fmt) (solutions(i,j,k)%pressure(idx), idx=1,np) - write(ioout, t_fmt) (solutions(i,j,k)%eq_soln(idx)%T, idx=1,np) - write(ioout, rho_fmt) (solutions(i,j,k)%eq_soln(idx)%density, idx=1,np) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') ' Pinj/P ', & + (solutions(i,j,k)%pressure(1)/solutions(i,j,k)%pressure(idx), idx=1,np) + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') ' P, bar ', & + (solutions(i,j,k)%pressure(idx), idx=1,np) + else + write(ioout, '(A, *(1X, ES23.15E3))') ' P, atm ', & + (solutions(i,j,k)%pressure(idx)/1.01325d0, idx=1,np) + end if + write(ioout, '(A, *(1X, ES23.15E3))') ' T, K ', & + (solutions(i,j,k)%eq_soln(idx)%T, idx=1,np) + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') ' Density, kg/m^3 ', & + (solutions(i,j,k)%eq_soln(idx)%density, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') ' H, kJ/kg ', & + (solutions(i,j,k)%eq_soln(idx)%enthalpy, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') ' U, kJ/kg ', & + (solutions(i,j,k)%eq_soln(idx)%energy, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') ' G, kJ/kg ', & + (solutions(i,j,k)%eq_soln(idx)%gibbs_energy, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') ' S, kJ/kg-K ', & + (solutions(i,j,k)%eq_soln(idx)%entropy, idx=1,np) + write(ioout, *) "" + write(ioout, '(A, *(1X, ES23.15E3))') 'M, (1/n) ', & + (1.0d0/solutions(i, j, k)%eq_soln(idx)%n, idx=1,np) + if (.not. frozen) then + write(ioout, '(A, *(1X, ES23.15E3))') '(dln(V)/dln(P))t', & + (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnP, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') '(dln(V)/dln(T))p', & + (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnT, idx=1,np) + end if + write(ioout, '(A, *(1X, ES23.15E3))') 'Cp, kJ/(kg-K) ', & + (solutions(i, j, k)%eq_soln(idx)%cp_eq, idx=1,np) + else + write(ioout, '(A, *(1X, ES23.15E3))') ' Density, g/cc ', & + (solutions(i,j,k)%eq_soln(idx)%density/1.d3, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') ' H, cal/g ', & + (solutions(i,j,k)%eq_soln(idx)%enthalpy/4.184d0, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') ' U, cal/g ', & + (solutions(i,j,k)%eq_soln(idx)%energy/4.184d0, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') ' G, cal/g ', & + (solutions(i,j,k)%eq_soln(idx)%gibbs_energy/4.184d0, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') ' S, cal/g-K ', & + (solutions(i,j,k)%eq_soln(idx)%entropy/4.184d0, idx=1,np) + write(ioout, *) "" + write(ioout, '(A, *(1X, ES23.15E3))') 'M, (1/n) ', & + (1.0d0/solutions(i, j, k)%eq_soln(idx)%n, idx=1,np) + if (.not. frozen) then + write(ioout, '(A, *(1X, ES23.15E3))') '(dln(V)/dln(P))t', & + (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnP, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') '(dln(V)/dln(T))p', & + (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnT, idx=1,np) + end if + write(ioout, '(A, *(1X, ES23.15E3))') 'Cp, cal/(g-K) ', & + (solutions(i, j, k)%eq_soln(idx)%cp_eq/4.184d0, idx=1,np) + end if + write(ioout, '(A, *(1X, ES23.15E3))') 'Gamma_s ', & + (solutions(i, j, k)%eq_partials(idx)%gamma_s, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') 'Son. Vel., m/s ', & + (solutions(i, j, k)%v_sonic(idx), idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') 'Mach ', & + (solutions(i, j, k)%mach(idx), idx=1,np) + else + write(ioout, pinj_fmt) (solutions(i,j,k)%pressure(1)/solutions(i,j,k)%pressure(idx), idx=1,np) + if (prob%output%siunit) then + write(ioout, p_fmt) (solutions(i,j,k)%pressure(idx), idx=1,np) + write(ioout, t_fmt) (solutions(i,j,k)%eq_soln(idx)%T, idx=1,np) + write(ioout, rho_fmt) (solutions(i,j,k)%eq_soln(idx)%density, idx=1,np) write(ioout, h_fmt) (solutions(i,j,k)%eq_soln(idx)%enthalpy, idx=1,np) write(ioout, u_fmt) (solutions(i,j,k)%eq_soln(idx)%energy, idx=1,np) write(ioout, g_fmt) (solutions(i,j,k)%eq_soln(idx)%gibbs_energy, idx=1,np) @@ -2398,11 +2825,11 @@ subroutine rocket_output(ioout, prob, solver, solutions) write(ioout, thermo_fmt) 'Gamma_s ', (solutions(i, j, k)%eq_partials(idx)%gamma_s, idx=1,np) write(ioout, vsonic_fmt) 'Son. Vel., m/s ', (solutions(i, j, k)%v_sonic(idx), idx=1,np) write(ioout, thermo_fmt) 'Mach ', (solutions(i, j, k)%mach(idx), idx=1,np) - else - write(ioout, p_fmt) (solutions(i,j,k)%pressure(idx)/1.01325d0, idx=1,np) - write(ioout, t_fmt) (solutions(i,j,k)%eq_soln(idx)%T, idx=1,np) - write(ioout, rho_fmt) (solutions(i,j,k)%eq_soln(idx)%density/1.d3, idx=1,np) - write(ioout, h_fmt) (solutions(i,j,k)%eq_soln(idx)%enthalpy/4.184d0, idx=1,np) + else + write(ioout, p_fmt) (solutions(i,j,k)%pressure(idx)/1.01325d0, idx=1,np) + write(ioout, t_fmt) (solutions(i,j,k)%eq_soln(idx)%T, idx=1,np) + write(ioout, rho_fmt) (solutions(i,j,k)%eq_soln(idx)%density/1.d3, idx=1,np) + write(ioout, h_fmt) (solutions(i,j,k)%eq_soln(idx)%enthalpy/4.184d0, idx=1,np) write(ioout, u_fmt) (solutions(i,j,k)%eq_soln(idx)%energy/4.184d0, idx=1,np) write(ioout, g_fmt) (solutions(i,j,k)%eq_soln(idx)%gibbs_energy/4.184d0, idx=1,np) write(ioout, s_fmt) (solutions(i,j,k)%eq_soln(idx)%entropy/4.184d0, idx=1,np) @@ -2415,7 +2842,8 @@ subroutine rocket_output(ioout, prob, solver, solutions) write(ioout, thermo_fmt) 'Cp, cal/(g-K) ', (solutions(i, j, k)%eq_soln(idx)%cp_eq/4.184d0, idx=1,np) write(ioout, thermo_fmt) 'Gamma_s ', (solutions(i, j, k)%eq_partials(idx)%gamma_s, idx=1,np) write(ioout, vsonic_fmt) 'Son. Vel., m/s ', (solutions(i, j, k)%v_sonic(idx), idx=1,np) - write(ioout, thermo_fmt) 'Mach ', (solutions(i, j, k)%mach(idx), idx=1,np) + write(ioout, thermo_fmt) 'Mach ', (solutions(i, j, k)%mach(idx), idx=1,np) + end if end if ! Write out transport properties @@ -2426,36 +2854,68 @@ subroutine rocket_output(ioout, prob, solver, solutions) write(ioout, *) "" ! Viscosity - write(ioout, thermo_fmt) " Visc, Millipoise", (solutions(i, j, k)%eq_soln(idx)%viscosity, idx=1,np) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') " Visc, Millipoise", & + (solutions(i, j, k)%eq_soln(idx)%viscosity, idx=1,np) + else + write(ioout, thermo_fmt) " Visc, Millipoise", (solutions(i, j, k)%eq_soln(idx)%viscosity, idx=1,np) + end if write(ioout, *) "" if (.not. frozen) then write(ioout, '(A)') " WITH EQUILIBRIUM REACTIONS" - if (prob%output%siunit) then - write(ioout, thermo_fmt) " Cp, kJ/(kg-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_eq, idx=1,np) - write(ioout, thermo_fmt) " Conductivity ", & - (solutions(i, j, k)%eq_soln(idx)%conductivity_eq, idx=1,np) + if (prob%output%long) then + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/(kg-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_eq, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + (solutions(i, j, k)%eq_soln(idx)%conductivity_eq, idx=1,np) + else + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/(g-K) ", & + (solutions(i, j, k)%eq_soln(idx)%cp_eq/4.184d0, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + (solutions(i, j, k)%eq_soln(idx)%conductivity_eq/4.184d0, idx=1,np) + end if + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", (solutions(i, j, k)%eq_soln(idx)%Pr_eq, idx=1,np) else - write(ioout, thermo_fmt) " Cp, cal/(g-K) ", & - (solutions(i, j, k)%eq_soln(idx)%cp_eq/4.184d0, idx=1,np) - write(ioout, thermo_fmt) " Conductivity ", & - (solutions(i, j, k)%eq_soln(idx)%conductivity_eq/4.184d0, idx=1,np) + if (prob%output%siunit) then + write(ioout, thermo_fmt) " Cp, kJ/(kg-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_eq, idx=1,np) + write(ioout, thermo_fmt) " Conductivity ", & + (solutions(i, j, k)%eq_soln(idx)%conductivity_eq, idx=1,np) + else + write(ioout, thermo_fmt) " Cp, cal/(g-K) ", & + (solutions(i, j, k)%eq_soln(idx)%cp_eq/4.184d0, idx=1,np) + write(ioout, thermo_fmt) " Conductivity ", & + (solutions(i, j, k)%eq_soln(idx)%conductivity_eq/4.184d0, idx=1,np) + end if + write(ioout, thermo_fmt) " Prandtl Number ", (solutions(i, j, k)%eq_soln(idx)%Pr_eq, idx=1,np) end if - write(ioout, thermo_fmt) " Prandtl Number ", (solutions(i, j, k)%eq_soln(idx)%Pr_eq, idx=1,np) write(ioout, *) "" end if write(ioout, '(A)') " WITH FROZEN REACTIONS" - if (prob%output%siunit) then - write(ioout, thermo_fmt) " Cp, kJ/(kg-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_fr, idx=1,np) - write(ioout, thermo_fmt) " Conductivity ", & - (solutions(i, j, k)%eq_soln(idx)%conductivity_fr, idx=1,np) + if (prob%output%long) then + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/(kg-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_fr, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + (solutions(i, j, k)%eq_soln(idx)%conductivity_fr, idx=1,np) + else + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/(g-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_fr/4.184d0, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + (solutions(i, j, k)%eq_soln(idx)%conductivity_fr/4.184d0, idx=1,np) + end if + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", (solutions(i, j, k)%eq_soln(idx)%Pr_fr, idx=1,np) else - write(ioout, thermo_fmt) " Cp, cal/(g-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_fr/4.184d0, idx=1,np) - write(ioout, thermo_fmt) " Conductivity ", & - (solutions(i, j, k)%eq_soln(idx)%conductivity_fr/4.184d0, idx=1,np) + if (prob%output%siunit) then + write(ioout, thermo_fmt) " Cp, kJ/(kg-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_fr, idx=1,np) + write(ioout, thermo_fmt) " Conductivity ", & + (solutions(i, j, k)%eq_soln(idx)%conductivity_fr, idx=1,np) + else + write(ioout, thermo_fmt) " Cp, cal/(g-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_fr/4.184d0, idx=1,np) + write(ioout, thermo_fmt) " Conductivity ", & + (solutions(i, j, k)%eq_soln(idx)%conductivity_fr/4.184d0, idx=1,np) + end if + write(ioout, thermo_fmt) " Prandtl Number ", (solutions(i, j, k)%eq_soln(idx)%Pr_fr, idx=1,np) end if - write(ioout, thermo_fmt) " Prandtl Number ", (solutions(i, j, k)%eq_soln(idx)%Pr_fr, idx=1,np) write(ioout, *) "" end if @@ -2466,11 +2926,27 @@ subroutine rocket_output(ioout, prob, solver, solutions) write(ioout, '(A)') " PERFORMANCE PARAMETERS" write(ioout, *) "" - perf_label = 'Ae/At ' - write(perf_fmt, '("(",i0,"(F13.4))")') np-1 - write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' - write(ioout, trim(perf_fmt)) (solutions(i, j, k)%ae_at(idx), idx=2,np) - if (prob%output%siunit) then + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') 'Ae/At ', (solutions(i, j, k)%ae_at(idx), idx=2,np) + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') 'C*, m/s ', (solutions(i, j, k)%c_star(idx), idx=2,np) + else + write(ioout, '(A, *(1X, ES23.15E3))') 'C*, ft/s ', (solutions(i, j, k)%c_star(idx)*3.2808349d0, idx=2,np) + end if + write(ioout, '(A, *(1X, ES23.15E3))') 'Cf ', (solutions(i, j, k)%cf(idx), idx=2,np) + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') 'Ivac, m/s ', (solutions(i, j, k)%i_vac(idx), idx=2,np) + write(ioout, '(A, *(1X, ES23.15E3))') 'Isp, m/s ', (solutions(i, j, k)%i_sp(idx), idx=2,np) + else + write(ioout, '(A, *(1X, ES23.15E3))') 'Ivac, lb-s/lb ', (solutions(i, j, k)%i_vac(idx)/9.80665d0, idx=2,np) + write(ioout, '(A, *(1X, ES23.15E3))') 'Isp, lb-s/lb ', (solutions(i, j, k)%i_sp(idx)/9.80665d0, idx=2,np) + end if + else + perf_label = 'Ae/At ' + write(perf_fmt, '("(",i0,"(F13.4))")') np-1 + write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' + write(ioout, trim(perf_fmt)) (solutions(i, j, k)%ae_at(idx), idx=2,np) + if (prob%output%siunit) then perf_label = 'C*, m/s ' write(perf_fmt, '("(",i0,"(F13.2))")') np-1 write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' @@ -2501,6 +2977,7 @@ subroutine rocket_output(ioout, prob, solver, solutions) perf_label = 'Isp, lb-s/lb ' write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' write(ioout, trim(perf_fmt)) (solutions(i, j, k)%i_sp(idx)/9.80665d0, idx=2,np) + end if end if end if @@ -2535,10 +3012,10 @@ subroutine rocket_output(ioout, prob, solver, solutions) if (is_trace(ii) .eqv. .false.) then if (frozen) then spec_fmt = get_rocket_species_format(solutions, ii, i, j, k, np, & - prob%output%mass_fractions, .true., nfrz) + prob%output%mass_fractions, .true., nfrz, prob%output%long) else spec_fmt = get_rocket_species_format(solutions, ii, i, j, k, np, & - prob%output%mass_fractions) + prob%output%mass_fractions, long_output=prob%output%long) end if if (prob%output%mass_fractions) then if (frozen) then @@ -2567,7 +3044,11 @@ subroutine rocket_output(ioout, prob, solver, solutions) ! Print the list of products with negligible amounts write(ioout, '(A)') "" write(ioout, '(A)') "PRODUCTS WHICH WERE CONSIDERED BUT WHOSE "// mass_or_mole //" FRACTIONS" - write(ioout, '(A, 1PE13.6 ,A)') "WERE LESS THAN", trace, " FOR ALL ASSIGNED CONDITIONS" + if (prob%output%long) then + call write_long_trace_line(ioout, trace) + else + write(ioout, '(A, 1PE13.6 ,A)') "WERE LESS THAN", trace, " FOR ALL ASSIGNED CONDITIONS" + end if write(ioout, '(A)') "" if (num_trace > 0) then ncols = 5 @@ -3050,7 +3531,69 @@ subroutine compute_fuel_ratios(prob, reactants, idx, of_ratio, pct_fuel, r_eq, p end subroutine - function get_eq_species_format(solutions, idx, k, m, n, mass_frac) result(eq_fmt) + subroutine write_long_reactant_row(ioout, name, amount, energy, temp) + integer, intent(in) :: ioout + character(*), intent(in) :: name + real(dp), intent(in) :: amount, energy, temp + + write(ioout, '(A20, 1X, 3(1X, ES23.15E3))') name, amount, energy, temp + end subroutine + + subroutine write_long_ratio_line(ioout, of_ratio, pct_fuel, r_eq, phi_eq) + integer, intent(in) :: ioout + real(dp), intent(in) :: of_ratio, pct_fuel, r_eq, phi_eq + + write(ioout, '(A)', advance='no') 'O/F = ' + write(ioout, '(ES23.15E3)', advance='no') of_ratio + write(ioout, '(A)', advance='no') ' % Fuel = ' + write(ioout, '(ES23.15E3)', advance='no') pct_fuel + write(ioout, '(A)', advance='no') ' r, Eq. Ratio = ' + write(ioout, '(ES23.15E3)', advance='no') r_eq + write(ioout, '(A)', advance='no') ' phi, Eq. Ratio = ' + write(ioout, '(ES23.15E3)') phi_eq + end subroutine + + subroutine write_long_trace_line(ioout, trace) + integer, intent(in) :: ioout + real(dp), intent(in) :: trace + + write(ioout, '(A)', advance='no') 'WERE LESS THAN' + write(ioout, '(1X, ES23.15E3, 1X, A)') trace, 'FOR ALL ASSIGNED CONDITIONS' + end subroutine + + subroutine write_long_schedule_line(ioout, label, values) + integer, intent(in) :: ioout + character(*), intent(in) :: label + real(dp), intent(in) :: values(:) + + write(ioout, '(A)', advance='no') trim(label)//' =' + if (size(values) > 0) then + write(ioout, '(*(1X, ES23.15E3))') values + else + write(ioout, *) + end if + end subroutine + + subroutine write_long_station_header(ioout, finite_area, ne) + integer, intent(in) :: ioout, ne + logical, intent(in) :: finite_area + integer :: idx + + write(ioout, '(/,A)', advance='no') repeat(' ', 18) + if (finite_area) then + write(ioout, '(A24)', advance='no') 'INJECTOR' + write(ioout, '(A24)', advance='no') 'COMB END' + else + write(ioout, '(A24)', advance='no') 'CHAMBER' + end if + write(ioout, '(A24)', advance='no') 'THROAT' + do idx = 1, ne + write(ioout, '(A24)', advance='no') 'EXIT' + end do + write(ioout, *) + end subroutine + + function get_eq_species_format(solutions, idx, k, m, n, mass_frac, long_output) result(eq_fmt) ! Write out the line formatting string for mole or mass fraction output ! Arguments @@ -3060,6 +3603,7 @@ function get_eq_species_format(solutions, idx, k, m, n, mass_frac) result(eq_fmt integer, intent(in) :: m ! Size of index 1 of solutions integer, intent(in) :: n ! Size of index 2 of solutions logical, intent(in) :: mass_frac ! If true, use mass fractions; if false, use mole fractions + logical, intent(in), optional :: long_output ! Result character(:), allocatable :: eq_fmt @@ -3068,6 +3612,13 @@ function get_eq_species_format(solutions, idx, k, m, n, mass_frac) result(eq_fmt integer :: i, j real(dp) :: amount + if (present(long_output)) then + if (long_output) then + eq_fmt = '(1x, A16, *(1X, ES23.15E3))' + return + end if + end if + ! Set the format eq_fmt = '(1x, A, T18' do j = 1, n @@ -3091,7 +3642,8 @@ function get_eq_species_format(solutions, idx, k, m, n, mass_frac) result(eq_fmt end function - function get_rocket_species_format(solutions, idx, i, j, k, np, mass_frac, frozen, nfrz) result(spec_fmt) + function get_rocket_species_format(solutions, idx, i, j, k, np, mass_frac, frozen, nfrz, & + long_output) result(spec_fmt) ! Write out the line formatting string for mole or mass fraction output ! Arguments @@ -3104,6 +3656,7 @@ function get_rocket_species_format(solutions, idx, i, j, k, np, mass_frac, froze logical, intent(in) :: mass_frac ! If true, use mass fractions; if false, use mole fractions logical, intent(in), optional :: frozen ! If true, use frozen values; if false, use equilibrium values integer, intent(in), optional :: nfrz ! Index of frozen solution + logical, intent(in), optional :: long_output ! Result character(:), allocatable :: spec_fmt @@ -3124,6 +3677,13 @@ function get_rocket_species_format(solutions, idx, i, j, k, np, mass_frac, froze end if end if + if (present(long_output)) then + if (long_output) then + spec_fmt = '(1x, A16, *(1X, ES23.15E3))' + return + end if + end if + ! Set the format spec_fmt = '(1x, A, T19' if (frozen_) then @@ -3161,7 +3721,7 @@ function get_rocket_species_format(solutions, idx, i, j, k, np, mass_frac, froze end function - function get_shock_species_format(solutions, idx, j, k, m, n, mass_frac) result(spec_fmt) + function get_shock_species_format(solutions, idx, j, k, m, n, mass_frac, long_output) result(spec_fmt) ! Write out the line formatting string for mole or mass fraction output ! Arguments @@ -3172,6 +3732,7 @@ function get_shock_species_format(solutions, idx, j, k, m, n, mass_frac) result( integer, intent(in) :: m ! Number of initial shock velocities or Mach numbers integer, intent(in) :: n ! Shock station index logical, intent(in) :: mass_frac ! If true, use mass fractions; if false, use mole fractions + logical, intent(in), optional :: long_output ! Result character(:), allocatable :: spec_fmt @@ -3180,6 +3741,13 @@ function get_shock_species_format(solutions, idx, j, k, m, n, mass_frac) result( integer :: i real(dp) :: amount + if (present(long_output)) then + if (long_output) then + spec_fmt = '(1x, A16, *(1X, ES23.15E3))' + return + end if + end if + ! Set the format spec_fmt = '(1x, A, T18' do i = 1, m @@ -3201,7 +3769,7 @@ function get_shock_species_format(solutions, idx, j, k, m, n, mass_frac) result( end function - function get_deton_species_format(solutions, idx, k, m, n, mass_frac) result(eq_fmt) + function get_deton_species_format(solutions, idx, k, m, n, mass_frac, long_output) result(eq_fmt) ! Write out the line formatting string for mole or mass fraction output ! Arguments @@ -3211,6 +3779,7 @@ function get_deton_species_format(solutions, idx, k, m, n, mass_frac) result(eq_ integer, intent(in) :: m ! Size of index 1 of solutions integer, intent(in) :: n ! Size of index 2 of solutions logical, intent(in) :: mass_frac ! If true, use mass fractions; if false, use mole fractions + logical, intent(in), optional :: long_output ! Result character(:), allocatable :: eq_fmt @@ -3219,6 +3788,13 @@ function get_deton_species_format(solutions, idx, k, m, n, mass_frac) result(eq_ integer :: i, j real(dp) :: amount + if (present(long_output)) then + if (long_output) then + eq_fmt = '(1x, A16, *(1X, ES23.15E3))' + return + end if + end if + ! Set the format eq_fmt = '(1x, A, T18' do j = 1, n diff --git a/test/main_interface/example1.inp b/test/main_interface/example1.inp index 1e33d3c..fc40d14 100644 --- a/test/main_interface/example1.inp +++ b/test/main_interface/example1.inp @@ -20,6 +20,6 @@ only Ar C CO CO2 H H2 H2O HNO HO2 HNO2 HNO3 N NH NO N2 N2O3 O O2 OH O3 # 'output' dataset: - output calories + output calories long # 'end' dataset end \ No newline at end of file diff --git a/test/main_interface/example10.inp b/test/main_interface/example10.inp index 2641897..b451343 100644 --- a/test/main_interface/example10.inp +++ b/test/main_interface/example10.inp @@ -10,5 +10,5 @@ reac fuel = H2(L) t,k= 20.27 oxid = O2(L) t,k= 90.17 problem o/f=5.55157 case=10 rocket fac p,bar=53.3172 ma=1333.9 pi/p=10,100,1000, sup-ae/at=25,50,75 -output short +output long end \ No newline at end of file diff --git a/test/main_interface/example11.inp b/test/main_interface/example11.inp index 6550bae..55be235 100644 --- a/test/main_interface/example11.inp +++ b/test/main_interface/example11.inp @@ -15,5 +15,5 @@ reac fuel = Li(cr) moles= 1. t(k)=298.15 oxid = F2(L) moles= .5556 t(k)=85.02 prob case=11 rocket equilibrium p,psia=1000 ions pi/p=68.0457, sub,ae/at=10, sup,ae/at=10,20,100 -output siunits transport +output siunits transport long end \ No newline at end of file diff --git a/test/main_interface/example12.inp b/test/main_interface/example12.inp index c1b9150..5f087b7 100644 --- a/test/main_interface/example12.inp +++ b/test/main_interface/example12.inp @@ -19,5 +19,5 @@ prob rocket case=12 p,psia =1000, pi/p=68.0457, eql frozen nfz=2 supersonic=5,10,25,50,75,100,150,200, o/f= 2.5, only CO CO2 H HNO HO2 H2 H2O H2O2 N NO NO2 N2 N2O O OH O2 HCO NH CH4 NH2 NH3 H2O(L) C(gr) -output siunits massf plot aeat t p ivac isp mach cf +output siunits massf long end \ No newline at end of file diff --git a/test/main_interface/example13.inp b/test/main_interface/example13.inp index 313d042..fee0c6a 100644 --- a/test/main_interface/example13.inp +++ b/test/main_interface/example13.inp @@ -18,6 +18,6 @@ reac fuel = N2H4(L) wt%= 80 t=298.15 oxid = H2O2(L) wt%=100 t=298.15 prob rocket case=13 p,psia=3000, pi/p=3,10,30,300,equilibrium %fuel = 67. -outp trace= 1.e-10 calories +outp trace= 1.e-10 calories long insert BeO(L) end \ No newline at end of file diff --git a/test/main_interface/example14.inp b/test/main_interface/example14.inp index 6ff0e1b..fedcc91 100644 --- a/test/main_interface/example14.inp +++ b/test/main_interface/example14.inp @@ -17,6 +17,6 @@ reac name H2(L) moles=100 prob tp p,atm=.05 case=14 t,k = 1000,500,350,305,304.3,304.2,304,300, -output siunits debug +output siunits long end \ No newline at end of file diff --git a/test/main_interface/example3.inp b/test/main_interface/example3.inp index bc72055..601ff28 100644 --- a/test/main_interface/example3.inp +++ b/test/main_interface/example3.inp @@ -19,7 +19,7 @@ reac fuel C7H8(L) wtfrac= .4 t(k)= 298.15 fuel C8H18(L),n-octa wtfrac= .6 t(k)= 298.15 prob case=Example-3 hp p(bar)=100,10,1, o/f = 17 -output siunits trace=1.e-15 +output siunits trace=1.e-15 long omit CCN CNC C2N2 C2O C3H4,allene C3H4,propyne C3H4,cyclo- C3 diff --git a/test/main_interface/example4.inp b/test/main_interface/example4.inp index 1e17bbb..b43b840 100644 --- a/test/main_interface/example4.inp +++ b/test/main_interface/example4.inp @@ -16,7 +16,7 @@ prob case=Example-4, o/f=17 uv u/r=-45.1343, rho,kg/m**3=14.428 -output trace=1.e-15 +output trace=1.e-15 long reac oxid Air wtfrac= 1 t(k)=700.0 fuel C7H8(L) wtfrac= .4 t(k)= 298.15 diff --git a/test/main_interface/example5.inp b/test/main_interface/example5.inp index c0bdc2d..f5471f3 100644 --- a/test/main_interface/example5.inp +++ b/test/main_interface/example5.inp @@ -24,7 +24,7 @@ reac prob case=5, hp p,psia=500,250,125,50,5, -outp calories +outp calories long omit COOH C2 C2H CHCO,ketyl C2H2,vinylidene CH2CO,ketene C2H3,vinyl CH3CO,acetyl C2H4O,ethylen-o CH3CHO,ethanal CH3COOH (HCOOH)2 diff --git a/test/main_interface/example6.inp b/test/main_interface/example6.inp index 19fee86..f66f0e2 100644 --- a/test/main_interface/example6.inp +++ b/test/main_interface/example6.inp @@ -12,5 +12,5 @@ reac oxid O2 wt%=100 prob detonation case=6 t=298.15,500, r,e=1, pbar=1,20 -output calories transport +output calories transport long end \ No newline at end of file diff --git a/test/main_interface/example7.inp b/test/main_interface/example7.inp index 5e02621..f49b56f 100644 --- a/test/main_interface/example7.inp +++ b/test/main_interface/example7.inp @@ -22,5 +22,6 @@ reac name= H2 moles= 0.050 t(k) 300.00 problem case=7 p,mmhg=10, shock u1=1100,1200,1250,1300,1350,1400, incd refl eql +output long end \ No newline at end of file diff --git a/test/main_interface/example8.inp b/test/main_interface/example8.inp index 2aeb927..344f988 100644 --- a/test/main_interface/example8.inp +++ b/test/main_interface/example8.inp @@ -15,5 +15,5 @@ case=8 p,bar=53.3172 subar=1.58,pi/p=10,100,1000,supar=25,50,75 reactants fuel = H2(L) wt% 100. t(k) 20.27 oxid = O2(L) wt% 100. t(k) 90.17 - output siunits + output siunits long end \ No newline at end of file diff --git a/test/main_interface/example9.inp b/test/main_interface/example9.inp index 9bc5d3c..249121b 100644 --- a/test/main_interface/example9.inp +++ b/test/main_interface/example9.inp @@ -8,5 +8,5 @@ reac fuel = H2(L) wt%=100. t,k= 20.27 oxid = O2(L) wt%=100. t,k= 90.17 problem o/f=5.55157 case=9 rocket fac p,bar=53.3172 acat=1.58 pi/p=10,100,1000, supar=25,50,75 -output siunits +output siunits long end \ No newline at end of file diff --git a/test/main_interface/reference_output/example1.out b/test/main_interface/reference_output/example1.out index 07cf270..3aafe09 100644 --- a/test/main_interface/reference_output/example1.out +++ b/test/main_interface/reference_output/example1.out @@ -31,7 +31,7 @@ only Ar C CO CO2 H H2 H2O HNO HO2 HNO2 HNO3 N NH NO N2 N2O3 O O2 OH O3 # 'output' dataset: - output calories + output calories long # 'end' dataset end @@ -102,43 +102,43 @@ REACTANT MOLES ENERGY TEMP CAL/MOL K - FUEL H2 1.0000000 0.000 0.000 - OXIDANT Air 1.0000000 0.000 0.000 + FUEL H2 0.100000000000000E+01 0.000000000000000E+00 0.000000000000000E+00 + OXIDANT Air 0.100000000000000E+01 0.000000000000000E+00 0.000000000000000E+00 - O/F= 34.29623 %FUEL= 2.833164 R,EQ.RATIO= 1.000000 PHI,EQ.RATIO= 1.000000 + O/F= 0.342962255762164E+02 %FUEL= 0.283316412357085E+01 R,EQ.RATIO= 0.100000000000000E+01 PHI,EQ.RATIO= 0.100000000000000E+01 THERMODYNAMIC PROPERTIES - P, ATM 1.0000 1.0000 0.10000 0.10000 0.01000 0.01000 - T, K 3000.00 2000.00 3000.00 2000.00 3000.00 2000.00 - RHO, G/CC 9.1781-5 1.4989-4 8.0851-6 1.4955-5 6.6136-7 1.4875-6 - H, CAL/G 663.71 -203.57 1369.55 -191.83 2647.10 -164.35 - U, CAL/G 399.86 -365.13 1070.02 -353.76 2280.92 -327.16 - G, CAL/G -7974.53 -5290.41 -8616.70 -5662.79 -9380.96 -6036.51 - S, CAL/(G)(K) 2.8794 2.5434 3.3287 2.7355 4.0094 2.9361 - - M, (1/n) 22.594 24.600 19.903 24.544 16.281 24.412 - (dLV/dLP)t -1.03442 -1.00064 -1.07867 -1.00146 -1.07479 -1.00358 - (dLV/dLT)p 1.6957 1.0205 2.5333 1.0463 2.4133 1.1111 - Cp, CAL/(G)(K) 1.6816 0.4552 3.4398 0.5215 3.7168 0.6858 - GAMMAs 1.1312 1.2258 1.1206 1.2026 1.1318 1.1668 - SON VEL,M/SEC 1117.5 910.3 1185.1 902.7 1316.8 891.5 + P, ATM 0.100000000000000E+01 0.100000000000000E+01 0.100000000000000E+00 0.100000000000000E+00 0.100000000000000E-01 0.100000000000000E-01 + T, K 0.300000000000000E+04 0.200000000000000E+04 0.300000000000000E+04 0.200000000000000E+04 0.300000000000000E+04 0.200000000000000E+04 + RHO, G/CC 0.917812621293807E-04 0.149894595170280E-03 0.808510859638209E-05 0.149553263878203E-04 0.661356498135516E-06 0.148746292064736E-05 + H, CAL/G 0.663714183578615E+03 -0.203568685337744E+03 0.136954555459015E+04 -0.191833302894158E+03 0.264709897503511E+04 -0.164346463524677E+03 + U, CAL/G 0.399855791873225E+03 -0.365130589465363E+03 0.107001641499410E+04 -0.353763946105474E+03 0.228092345120761E+04 -0.327155605708938E+03 + G, CAL/G -0.797452759742554E+04 -0.529041249258461E+04 -0.861669930180933E+04 -0.566278878289383E+04 -0.938096063061102E+04 -0.603650927028784E+04 + S, CAL/(G)(K) 0.287941392700138E+01 0.254342190362343E+01 0.332874828546649E+01 0.273547773999984E+01 0.400935320188204E+01 0.293608140338158E+01 + + M, (1/n) 0.225941146347108E+02 0.246000515270515E+02 0.199033949002827E+02 0.245440337142454E+02 0.162808444628060E+02 0.244115969964997E+02 + (dLV/dLP)t -0.103441815622627E+01 -0.100063813453150E+01 -0.107867136959018E+01 -0.100146307345148E+01 -0.107479373388823E+01 -0.100357882925661E+01 + (dLV/dLT)p 0.169574002221235E+01 0.102048076119156E+01 0.253331253467799E+01 0.104625100786942E+01 0.241332728794386E+01 0.111105039779104E+01 + Cp, CAL/(G)(K) 0.168164195514646E+01 0.455164675773621E+00 0.343981135329078E+01 0.521493450222716E+00 0.371682316613401E+01 0.685772576619565E+00 + GAMMAs 0.113119264857728E+01 0.122576408700420E+01 0.112058161585125E+01 0.120262736325115E+01 0.113182120989164E+01 0.116679909443605E+01 + SON VEL,M/SEC 0.111750527143068E+04 0.910266931802762E+03 0.118505122626197E+04 0.902663535784243E+03 0.131682907734308E+04 0.891524481797701E+03 MOLE FRACTIONS - *Ar 0.00710 0.00773 0.00625 0.00771 0.00511 0.00767 - *CO 0.00017 0.00001 0.00018 0.00002 0.00017 0.00004 - *CO2 0.00007 0.00025 0.00003 0.00024 0.00001 0.00022 - *H 0.04075 0.00009 0.14289 0.00041 0.31894 0.00186 - HO2 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 - *H2 0.06728 0.00306 0.08272 0.00638 0.04121 0.01319 - H2O 0.20730 0.34207 0.09579 0.33714 0.01176 0.32637 - *N 0.00001 0.00000 0.00003 0.00000 0.00009 0.00000 - *NO 0.01230 0.00048 0.01371 0.00072 0.00967 0.00107 - *N2 0.58568 0.64414 0.51448 0.64255 0.42158 0.63891 - *O 0.01540 0.00002 0.05787 0.00010 0.14261 0.00047 - *OH 0.04517 0.00113 0.05953 0.00244 0.03275 0.00519 - *O2 0.01876 0.00102 0.02650 0.00228 0.01610 0.00502 + *Ar 0.709816168298838E-02 0.772834654634775E-02 0.625284597753980E-02 0.771074800312285E-02 0.511478636283127E-02 0.766914171424681E-02 + *CO 0.170734699895957E-03 0.103652260012927E-04 0.184174247734782E-03 0.209646651543597E-04 0.167756369387483E-03 0.408099814984045E-04 + *CO2 0.710766502091342E-04 0.252885446533626E-03 0.288164481365696E-04 0.241686548192804E-03 0.646860122044504E-05 0.220423996808562E-03 + *H 0.407521751641015E-01 0.895230172377970E-04 0.142894604224462E+00 0.408861803988751E-03 0.318941379135650E+00 0.185850428610297E-02 + HO2 0.102569476988717E-04 0.100675295867698E-06 0.508037714881123E-05 0.102660581561951E-06 0.688700854843523E-06 0.102434581893782E-06 + *H2 0.672773710148948E-01 0.306069048082573E-02 0.827178184043327E-01 0.638414984289808E-02 0.412087221569157E-01 0.131909819121077E-01 + H2O 0.207295734187503E+00 0.342065042022239E+00 0.957914645779614E-01 0.337141209059766E+00 0.117607956590043E-01 0.326372696152164E+00 + *N 0.105766801113053E-04 0.000000000000000E+00 0.313477645283984E-04 0.000000000000000E+00 0.897351576333643E-04 0.000000000000000E+00 + *NO 0.123032417467299E-01 0.483447373852851E-03 0.137051297873082E-01 0.721494871875827E-03 0.966849822741609E-02 0.106592614945457E-02 + *N2 0.585675961934690E+00 0.644136505597660E+00 0.514483914307004E+00 0.642550141059361E+00 0.421583795217339E+00 0.638908853919665E+00 + *O 0.153969589793058E-01 0.212526105804491E-04 0.578683837746873E-01 0.100422671973736E-03 0.142613673933793E+00 0.470500076973319E-03 + *OH 0.451741771670702E-01 0.112847719252238E-02 0.595335355526772E-01 0.243530916723217E-02 0.327473776364973E-01 0.518643639628951E-02 + *O2 0.187606408986537E-01 0.102336381090258E-02 0.265008900064277E-01 0.228490964585316E-02 0.160953375734713E-01 0.501562298010663E-02 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K @@ -192,42 +192,42 @@ REACTANT MOLES ENERGY TEMP CAL/MOL K - FUEL H2 1.0000000 0.000 0.000 - OXIDANT Air 1.0000000 0.000 0.000 + FUEL H2 0.100000000000000E+01 0.000000000000000E+00 0.000000000000000E+00 + OXIDANT Air 0.100000000000000E+01 0.000000000000000E+00 0.000000000000000E+00 - O/F= 22.85255 %FUEL= 4.192424 R,EQ.RATIO= 1.500000 PHI,EQ.RATIO= 1.500761 + O/F= 0.228525500680035E+02 %FUEL= 0.419242385887046E+01 R,EQ.RATIO= 0.150000000000000E+01 PHI,EQ.RATIO= 0.150076142374305E+01 THERMODYNAMIC PROPERTIES - P, ATM 1.0000 1.0000 0.10000 0.10000 0.01000 0.01000 - T, K 3000.00 2000.00 3000.00 2000.00 3000.00 2000.00 - RHO, G/CC 8.1217-5 1.2975-4 7.1159-6 1.2964-5 5.6716-7 1.2929-6 - H, CAL/G 718.65 -120.70 1550.12 -116.20 3208.24 -101.78 - U, CAL/G 420.48 -307.35 1209.80 -303.01 2781.24 -289.09 - G, CAL/G -8818.84 -5830.65 -9545.38 -6260.58 -10424.5 -6691.18 - S, CAL/(G)(K) 3.1792 2.8550 3.6985 3.0722 4.5442 3.2947 - - M, (1/n) 19.994 21.293 17.518 21.275 13.962 21.219 - (dLV/dLP)t -1.03310 -1.00019 -1.08571 -1.00061 -1.08710 -1.00198 - (dLV/dLT)p 1.6653 1.0055 2.6677 1.0177 2.6421 1.0570 - Cp, CAL/(G)(K) 1.8253 0.4671 4.1929 0.5000 4.9230 0.6077 - GAMMAs 1.1337 1.2529 1.1196 1.2389 1.1296 1.2051 - SON VEL,M/SEC 1189.3 989.2 1262.6 984.0 1420.6 971.8 + P, ATM 0.100000000000000E+01 0.100000000000000E+01 0.100000000000000E+00 0.100000000000000E+00 0.100000000000000E-01 0.100000000000000E-01 + T, K 0.300000000000000E+04 0.200000000000000E+04 0.300000000000000E+04 0.200000000000000E+04 0.300000000000000E+04 0.200000000000000E+04 + RHO, G/CC 0.812173143904981E-04 0.129745591790122E-03 0.711591632569365E-05 0.129637038187800E-04 0.567158839824901E-06 0.129290278301783E-05 + H, CAL/G 0.718653808576990E+03 -0.120698095997679E+03 0.155012209146243E+04 -0.116203979745566E+03 0.320823530763757E+04 -0.101779054848083E+03 + U, CAL/G 0.420475317994169E+03 -0.307349957382867E+03 0.120979689501925E+04 -0.303012136987376E+03 0.278124282310491E+04 -0.289088236421831E+03 + G, CAL/G -0.881884186048532E+04 -0.583064751364366E+04 -0.954537720523993E+04 -0.626057527709261E+04 -0.104244883221843E+05 -0.669118354541482E+04 + S, CAL/(G)(K) 0.317916522302077E+01 0.285497470882299E+01 0.369849976556745E+01 0.307218564867352E+01 0.454424120994063E+01 0.329470224528337E+01 + + M, (1/n) 0.199935506342839E+02 0.212932843897338E+02 0.175175003550387E+02 0.212754690428394E+02 0.139619477285345E+02 0.212185603127157E+02 + (dLV/dLP)t -0.103309534560990E+01 -0.100019301198473E+01 -0.108570593271089E+01 -0.100061377011298E+01 -0.108709935309546E+01 -0.100197661412765E+01 + (dLV/dLT)p 0.166528253467781E+01 0.100554807193872E+01 0.266772264522350E+01 0.101765387665438E+01 0.264211948314090E+01 0.105696147348021E+01 + Cp, CAL/(G)(K) 0.182531131405844E+01 0.467073891057589E+00 0.419285001657417E+01 0.500033855333494E+00 0.492302741773693E+01 0.607650874442986E+00 + GAMMAs 0.113367190213984E+01 0.125288168249786E+01 0.111962607340458E+01 0.123890450353045E+01 0.112959134911697E+01 0.120512065959483E+01 + SON VEL,M/SEC 0.118926239177003E+04 0.989161103658609E+03 0.126263955852735E+04 0.984039817891623E+03 0.142058306259463E+04 0.971830750719187E+03 MOLE FRACTIONS - *Ar 0.00619 0.00660 0.00543 0.00659 0.00432 0.00657 - *CO 0.00018 0.00016 0.00017 0.00016 0.00014 0.00016 - *CO2 0.00004 0.00007 0.00002 0.00007 0.00000 0.00007 - *H 0.06025 0.00062 0.18236 0.00196 0.39312 0.00616 - *H2 0.14706 0.14737 0.13472 0.14676 0.06261 0.14490 - H2O 0.22224 0.29508 0.11131 0.29450 0.01465 0.29261 - *N 0.00001 0.00000 0.00003 0.00000 0.00008 0.00000 - *NO 0.00565 0.00001 0.00912 0.00003 0.00729 0.00008 - *N2 0.51356 0.54995 0.44786 0.54948 0.35692 0.54799 - *O 0.00755 0.00000 0.04129 0.00000 0.11694 0.00004 - *OH 0.03276 0.00014 0.05421 0.00044 0.03310 0.00140 - *O2 0.00451 0.00000 0.01349 0.00000 0.01082 0.00003 + *Ar 0.619330246618960E-02 0.659591450941935E-02 0.542630871998807E-02 0.659039593829884E-02 0.432492291493436E-02 0.657276760478928E-02 + *CO 0.175190756075451E-03 0.156340777252111E-03 0.166274414556434E-03 0.156104432265937E-03 0.142804783447023E-03 0.155386981247444E-03 + *CO2 0.357717091369873E-04 0.683358622057218E-04 0.185619422696420E-04 0.683842280989678E-04 0.451506811511677E-05 0.685012051837119E-04 + *H 0.602500539693314E-01 0.621205940805260E-03 0.182358411074645E+00 0.196032574879748E-02 0.393120651636903E+00 0.615959766215006E-02 + *H2 0.147055845524443E+00 0.147374108707591E+00 0.134715947789133E+00 0.146759586548831E+00 0.626064574408741E-01 0.144895427901074E+00 + H2O 0.222242438266501E+00 0.295081391337003E+00 0.111309747576018E+00 0.294504146511820E+00 0.146506494969705E-01 0.292605499134671E+00 + *N 0.990409681232854E-05 0.000000000000000E+00 0.292477160435377E-04 0.000000000000000E+00 0.825665450457386E-04 0.000000000000000E+00 + *NO 0.565078017468001E-02 0.800303404532638E-05 0.912336352518845E-02 0.253532583919663E-04 0.729441882587025E-02 0.805719884455148E-04 + *N2 0.513556703997124E+00 0.549953701156226E+00 0.447860297620834E+00 0.549484895657109E+00 0.356916703704554E+00 0.547987461632437E+00 + *O 0.755193619588055E-02 0.380753264353796E-06 0.412883757504629E-01 0.381599624552440E-05 0.116936841625268E+00 0.384017314821275E-04 + *OH 0.327582161699072E-01 0.140289454422610E-03 0.542073391771396E-01 0.443692383511082E-03 0.330964727124708E-01 0.140297180259942E-02 + *O2 0.451330182498275E-02 0.328467765979748E-06 0.134906647646800E-01 0.329929662955117E-05 0.108213258098901E-01 0.334123559200457E-04 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K diff --git a/test/main_interface/reference_output/example10.out b/test/main_interface/reference_output/example10.out index cf23ff7..23be08c 100644 --- a/test/main_interface/reference_output/example10.out +++ b/test/main_interface/reference_output/example10.out @@ -21,9 +21,133 @@ oxid = O2(L) t,k= 90.17 problem o/f=5.55157 case=10 rocket fac p,bar=53.3172 ma=1333.9 pi/p=10,100,1000, sup-ae/at=25,50,75 - output short + output long end + OPTIONS: TP=F HP=F SP=F TV=F UV=F SV=F DETN=F SHOCK=F REFL=F INCD=F + RKT=T FROZ=F EQL=T IONS=F SIUNIT=T DEBUGF=F SHKDBG=F DETDBG=F TRNSPT=F + + TRACE= 0.00E+00 S/R= 0.000000E+00 H/R= 0.000000E+00 U/R= 0.000000E+00 + + Pc,BAR = 53.317200 + + Pc/P = 10.0000 100.0000 1000.0000 + + SUBSONIC AREA RATIOS = + + SUPERSONIC AREA RATIOS = 25.0000 50.0000 75.0000 + + NFZ= 1 Mdot/Ac= 1.333900E+03 Ac/At= 0.000000E+00 + + REACTANT WT.FRAC (ENERGY/R),K TEMP,K DENSITY + EXPLODED FORMULA + F: H2(L) 1.000000 -0.108389E+04 20.27 0.0000 + H 2.00000 + O: O2(L) 1.000000 -0.156101E+04 90.17 0.0000 + O 2.00000 + + SPECIES BEING CONSIDERED IN THIS SYSTEM + (CONDENSED PHASE MAY HAVE NAME LISTED SEVERAL TIMES) + LAST thermo.inp UPDATE: 9/09/04 + + g 6/97 *H g 4/02 HO2 tpis78 *H2 + g 8/89 H2O g 6/99 H2O2 g 5/97 *O + g 4/02 *OH tpis89 *O2 g 8/01 O3 + g11/99 H2O(cr) g 8/01 H2O(L) g 8/01 H2O(L) + + O/F = 5.551570 + + EFFECTIVE FUEL EFFECTIVE OXIDANT MIXTURE + ENTHALPY h(2)/R h(1)/R h0/R + (KG-MOL)(K)/KG -0.53767500E+03 -0.48783267E+02 -0.12340534E+03 + + KG-FORM.WT./KG bi(2) bi(1) b0i + *H 0.99212255E+00 -0.00000000E+00 0.15143279E+00 + *O -0.00000000E+00 0.62502344E-01 0.52962288E-01 + DBG ROCKET POINT Npt= 1 Eql= T Nfz= 1 ipp= 1 Area= F Pp= 53.317200000000000 Tt= 3800.0000000000000 AppNpt= 1.0000000000000000 + + POINT ITN T H O + 1 9 3383.845 -9.262 -16.577 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 49.092492331859368 Tt= 3383.8446259451043 AppNpt= 1.0000000000000000 + 2 3 3375.786 -9.299 -16.595 + Pinf/Pt = 1.737368 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.256823574044198 Tt= 3375.7861517254141 AppNpt= 1.7373676911425437 + 3 4 3179.768 -9.468 -16.999 + Pinf/Pt = 1.738805 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.233464678501633 Tt= 3179.7683247360069 AppNpt= 1.7388050985198724 + 3 2 3179.478 -9.468 -16.999 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 45.236643612769086 Tt= 3375.7861517254141 AppNpt= 1.0852372857742674 + 4 3 3346.430 -9.324 -16.651 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.541400583264519 Tt= 3346.4296066965035 AppNpt= 1.1021766646086300 + 4 2 3340.886 -9.329 -16.662 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.457625988584013 Tt= 3340.8861723762516 AppNpt= 1.1042535727046134 + 4 2 3340.213 -9.330 -16.664 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.456632707867989 Tt= 3340.2126904257443 AppNpt= 1.1042782446987021 + 4 1 3340.205 -9.330 -16.664 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 49.127339618751300 Tt= 3375.7861517254141 AppNpt= 1.0000000000000000 + 2 2 3375.856 -9.299 -16.595 + Pinf/Pt = 1.737371 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.276827726759780 Tt= 3375.8556960782885 AppNpt= 1.7373709700915154 + 3 4 3179.822 -9.467 -16.998 + Pinf/Pt = 1.738809 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.253444869297390 Tt= 3179.8220090153641 AppNpt= 1.7388088371530677 + 3 2 3179.532 -9.468 -16.999 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 45.351816282750491 Tt= 3375.8556960782885 AppNpt= 1.0832496611042417 + 4 3 3347.153 -9.324 -16.650 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.665940654882533 Tt= 3347.1533547886802 AppNpt= 1.0998836898642832 + 4 2 3341.698 -9.328 -16.661 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.583102058346782 Tt= 3341.6981712560400 AppNpt= 1.1019273525305033 + 4 2 3341.034 -9.329 -16.662 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.582116906185135 Tt= 3341.0339527635961 AppNpt= 1.1019517023413390 + 4 1 3341.026 -9.329 -16.662 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 49.153561495577314 Tt= 3375.8556960782885 AppNpt= 1.0000000000000000 + 2 2 3375.908 -9.299 -16.595 + Pinf/Pt = 1.737373 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.291880420363359 Tt= 3375.9079911307708 AppNpt= 1.7373734359558000 + 3 4 3179.862 -9.467 -16.998 + Pinf/Pt = 1.738812 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.268479528652477 Tt= 3179.8623766255796 AppNpt= 1.7388116487042062 + 3 2 3179.572 -9.467 -16.999 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 45.380909667461481 Tt= 3375.9079911307708 AppNpt= 1.0831330146478060 + 4 3 3347.243 -9.323 -16.650 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.695258384563367 Tt= 3347.2425451974341 AppNpt= 1.0997489056367942 + 4 2 3341.792 -9.328 -16.660 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.612436103622230 Tt= 3341.7923305760273 AppNpt= 1.1017905720594885 + 4 2 3341.129 -9.329 -16.662 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.611450983318591 Tt= 3341.1286359120968 AppNpt= 1.1018149020518777 + 4 1 3341.121 -9.329 -16.662 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 49.155318697231124 Tt= 3375.9079911307708 AppNpt= 1.0000000000000000 + 2 1 3375.911 -9.299 -16.595 + Pinf/Pt = 1.737374 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.292889142843720 Tt= 3375.9114944831140 AppNpt= 1.7373736011567507 + 3 4 3179.865 -9.467 -16.998 + Pinf/Pt = 1.738812 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.269487040396431 Tt= 3179.8650809120277 AppNpt= 1.7388118371935555 + 3 2 3179.575 -9.467 -16.999 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 45.382827044339614 Tt= 3375.9114944831140 AppNpt= 1.0831259729413889 + 4 3 3347.248 -9.323 -16.650 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.697186933055896 Tt= 3347.2482650733809 AppNpt= 1.0997407682692042 + 4 2 3341.798 -9.328 -16.660 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.614365352506987 Tt= 3341.7983486051294 AppNpt= 1.1017823140337235 + 4 2 3341.135 -9.329 -16.662 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.613380230774865 Tt= 3341.1346853620389 AppNpt= 1.1018066428269242 + 4 1 3341.127 -9.329 -16.662 + END OF CHAMBER ITERATIONS + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= F Pp= 5.3317200000000007 Tt= 3341.1267844132421 AppNpt= 9.2194111275969330 + 4 5 2595.058 -9.940 -18.703 + DBG ROCKET POINT Npt= 5 Eql= T Nfz= 1 ipp= 5 Area= F Pp= 0.53317199999999998 Tt= 2595.0580942788552 AppNpt= 92.194111275969334 + 5 4 1787.250 -10.478 -23.291 + DBG ROCKET POINT Npt= 6 Eql= T Nfz= 1 ipp= 6 Area= F Pp= 5.3317200000000002E-002 Tt= 1787.2500228941788 AppNpt= 921.94111275969340 + 6 4 1136.019 -10.982 -32.205 + DBG ROCKET POINT Npt= 7 Eql= T Nfz= 1 ipp= 7 Area= T Pp= 0.17245997136861391 Tt= 1136.0193403458334 AppNpt= 285.02450920722424 + 7 5 1443.073 -10.724 -26.955 + DBG ROCKET POINT Npt= 7 Eql= T Nfz= 1 ipp= 7 Area= T Pp= 0.18926119100930386 Tt= 1443.0728039987346 AppNpt= 259.72212493798958 + 7 2 1469.585 -10.704 -26.608 + DBG ROCKET POINT Npt= 8 Eql= T Nfz= 1 ipp= 8 Area= T Pp= 8.2494061343720212E-002 Tt= 1469.5846563595226 AppNpt= 595.86493738525371 + 8 3 1244.270 -10.886 -30.048 + DBG ROCKET POINT Npt= 8 Eql= T Nfz= 1 ipp= 8 Area= T Pp= 7.5241615575754067E-002 Tt= 1244.2698413176245 AppNpt= 653.29961778586505 + 8 2 1220.873 -10.906 -30.480 + @@ -38,57 +162,66 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) KJ/KG-MOL K - FUEL H2(L) 1.0000000 -9012.000 20.270 - OXIDANT O2(L) 1.0000000 -12979.000 90.170 + FUEL H2(L) 0.100000000000000E+01 -0.901200000000000E+04 0.202700000000000E+02 + OXIDANT O2(L) 0.100000000000000E+01 -0.129790000000000E+05 0.901700000000000E+02 - O/F= 5.55157 %FUEL= 15.263517 R,EQ.RATIO= 1.429629 PHI,EQ.RATIO= 1.429629 + O/F= 0.555157000000000E+01 %FUEL= 0.152635169890576E+02 R,EQ.RATIO= 0.142962850852136E+01 PHI,EQ.RATIO= 0.142962850852136E+01 INJECTOR COMB END THROAT EXIT EXIT EXIT EXIT EXIT - Pinj/P 1.0000 1.1951 1.8860 10.0000 100.00 1000.00 281.71 708.61 - P, BAR 53.317 44.613 28.269 5.3317 0.53317 0.05332 0.18926 0.07524 - T, K 3383.84 3341.13 3179.57 2595.06 1787.25 1136.02 1469.58 1220.87 - RHO, KG/CU M 2.4097 0 2.0443 0 1.3725 0 3.2400-1 4.7380-2 7.4551-3 2.0457-2 9.7895-3 - H, KJ/KG -1026.05 -1238.93 -2206.45 -5291.52 -8467.22 -10561.9 -9526.84 -10306.5 - U, KJ/KG -3238.68 -3421.28 -4266.22 -6937.12 -9592.53 -11277.1 -10452.0 -11075.1 - G, KJ/KG -64163.7 -63757.2 -61701.8 -53849.5 -41909.8 -31818.8 -37025.3 -33151.1 - S, KJ/(KG)(K) 18.6586 18.7117 18.7117 18.7117 18.7117 18.7117 18.7117 18.7117 - - M, (1/n) 12.716 12.729 12.835 13.112 13.205 13.207 13.207 13.207 - (dLV/dLP)t -1.02010 -1.01954 -1.01512 -1.00370 -1.00007 -1.00000 -1.00000 -1.00000 - (dLV/dLT)p 1.3658 1.3599 1.2919 1.0859 1.0022 1.0000 1.0002 1.0000 - Cp, KJ/(KG)(K) 8.3253 8.2939 7.5801 5.0241 3.4587 2.9781 3.2246 3.0430 - GAMMAs 1.1447 1.1443 1.1461 1.1697 1.2237 1.2681 1.2427 1.2609 - SON VEL,M/SEC 1591.5 1580.3 1536.5 1387.4 1173.5 952.3 1072.2 984.4 - MACH NUMBER 0.000 0.413 1.000 2.105 3.287 4.586 3.845 4.376 + Pinj/P 0.100000000000000E+01 0.119509438030031E+01 0.188603351464464E+01 0.100000000000000E+02 0.100000000000000E+03 0.100000000000000E+04 0.281712271362484E+03 0.708613173600980E+03 + P, BAR 0.533172000000000E+02 0.446133802307749E+02 0.282694870403964E+02 0.533172000000000E+01 0.533172000000000E+00 0.533172000000000E-01 0.189261191009304E+00 0.752416155757541E-01 + T, K 0.338384462594510E+04 0.334112678441324E+04 0.317957459577434E+04 0.259505809427886E+04 0.178725002289418E+04 0.113601934034583E+04 0.146958465635952E+04 0.122087273196246E+04 + RHO, KG/CU M 0.240967731792388E+01 0.204428649650335E+01 0.137246147116012E+01 0.323998162129832E+00 0.473798789926252E-01 0.745512589301834E-02 0.204567579144276E-01 0.978951082645637E-02 + H, KJ/KG -0.102605493530542E+04 -0.123893392329734E+04 -0.220644973341507E+04 -0.529151608953508E+04 -0.846721880678525E+04 -0.105619499707335E+05 -0.952683758677785E+04 -0.103064885515691E+05 + U, KJ/KG -0.323868314089175E+04 -0.342127873196696E+04 -0.426621517196691E+04 -0.693711801670387E+04 -0.959253193830040E+04 -0.112771250162674E+05 -0.104520144491184E+05 -0.110750827837999E+05 + G, KJ/KG -0.641637491029525E+05 -0.637572025896714E+05 -0.617017971562863E+05 -0.538495474396544E+05 -0.419097620909544E+05 -0.318188393114648E+05 -0.370253117009571E+05 -0.331511318097470E+05 + S, KJ/(KG)(K) 0.186585677378768E+02 0.187117319097345E+02 0.187117319096525E+02 0.187117319096524E+02 0.187117319097940E+02 0.187117319096523E+02 0.187117319136271E+02 0.187117319112016E+02 + + M, (1/n) 0.127156518704015E+02 0.127293505361358E+02 0.128347647151991E+02 0.131116985944373E+02 0.132053095015837E+02 0.132071780530991E+02 0.132070707975078E+02 0.132071750124464E+02 + (dLV/dLP)t -0.102010404727908E+01 -0.101954320577710E+01 -0.101511596496537E+01 -0.100370415644084E+01 -0.100007079212634E+01 -0.100000003325846E+01 -0.100000409363442E+01 -0.100000014836638E+01 + (dLV/dLT)p 0.136578843385499E+01 0.135986626857786E+01 0.129186125321875E+01 0.108585548283336E+01 0.100223794031278E+01 0.100000157044851E+01 0.100015326945061E+01 0.100000657715744E+01 + Cp, KJ/(KG)(K) 0.832530666015866E+01 0.829392621433941E+01 0.758005346070574E+01 0.502412539041309E+01 0.345866841036115E+01 0.297810461593280E+01 0.322457870411729E+01 0.304299213607460E+01 + GAMMAs 0.114469528826310E+01 0.114428357530171E+01 0.114614909571793E+01 0.116974912726094E+01 0.122367582189189E+01 0.126805668391637E+01 0.124268452026566E+01 0.126085293851021E+01 + SON VEL,M/SEC 0.159147261415731E+04 0.158025989008315E+04 0.153648895042797E+04 0.138742258094808E+04 0.117346430328857E+04 0.952303783810292E+03 0.107224202740732E+04 0.984420792258176E+03 + MACH NUMBER 0.000000000000000E+00 0.412907602531960E+00 0.999998157704542E+00 0.210517999731500E+01 0.328749839378409E+01 0.458585394662519E+01 0.384548948531940E+01 0.437641355105633E+01 PERFORMANCE PARAMETERS - Ae/At 1.5809 1.0000 2.2284 11.537 64.771 25.000 50.000 - CSTAR, M/SEC 2331.0 2331.0 2331.0 2331.0 2331.0 2331.0 2331.0 - CF 0.2799 0.6592 1.2530 1.6550 1.8735 1.7689 1.8482 - Ivac, M/SEC 3997.1 2877.1 3484.2 4149.5 4530.9 4347.7 4486.6 - Isp, M/SEC 652.5 1536.5 2920.8 3857.8 4367.1 4123.3 4308.2 + Ae/At 0.158090453944294E+01 0.100000000000000E+01 0.222837492370856E+01 0.115371734877708E+02 0.647706256622376E+02 0.250000000000000E+02 0.500000000000000E+02 + CSTAR, M/SEC 0.233099699394121E+04 0.233099699394121E+04 0.233099699394121E+04 0.233099699394121E+04 0.233099699394121E+04 0.233099699394121E+04 0.233099699394121E+04 + CF 0.279923708304922E+00 0.659154054576230E+00 0.125301502868807E+01 0.165498369249353E+01 0.187350137161209E+01 0.176889779473323E+01 0.184823597215198E+01 + Ivac, M/SEC 0.399708428834201E+04 0.287705497493055E+04 0.348418717487199E+04 0.414946303679470E+04 0.453088938129890E+04 0.434767346093963E+04 0.448663378459321E+04 + Isp, M/SEC 0.652501322591650E+03 0.153648611976136E+04 0.292077426523505E+04 0.385776201222414E+04 0.436712606537253E+04 0.412329544211240E+04 0.430823249518029E+04 MOLE FRACTIONS - *H 0.03350 0.03296 0.02716 0.00889 0.00024 0.00000 0.00002 0.00000 - HO2 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 - *H2 0.29479 0.29453 0.29418 0.29677 0.30037 0.30052 0.30051 0.30052 - H2O 0.63456 0.63673 0.65176 0.68895 0.69934 0.69948 0.69948 0.69948 - H2O2 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 - *O 0.00207 0.00197 0.00126 0.00009 0.00000 0.00000 0.00000 0.00000 - *OH 0.03334 0.03214 0.02454 0.00521 0.00004 0.00000 0.00000 0.00000 - *O2 0.00172 0.00165 0.00109 0.00009 0.00000 0.00000 0.00000 0.00000 + *H 0.334978853941612E-01 0.329628941112339E-01 0.271567885283512E-01 0.889024935964695E-02 0.241646167706800E-03 0.133033850020033E-06 0.152928438989914E-04 0.578794972051078E-06 + HO2 0.149369058588176E-04 0.130334323476253E-04 0.671457982012687E-05 0.215555764191289E-06 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 + *H2 0.294794419645594E+00 0.294529976427641E+00 0.294182201895200E+00 0.296771120374993E+00 0.300374972470417E+00 0.300517499678045E+00 0.300508020450096E+00 0.300517214961815E+00 + H2O 0.634556200794807E+00 0.636726238357725E+00 0.651763312748293E+00 0.688948136727074E+00 0.699341980124736E+00 0.699482367288105E+00 0.699475604366627E+00 0.699482191542279E+00 + H2O2 0.561453514692422E-05 0.479244718702602E-05 0.257790747126381E-05 0.128082197484949E-06 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 + *O 0.206778128435225E-02 0.196932258520571E-02 0.125561490396091E-02 0.916565659459003E-04 0.224506437453945E-07 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 + *OH 0.333413917847615E-01 0.321431692429862E-01 0.245445866574042E-01 0.521191053423548E-02 0.413556265941051E-04 0.000000000000000E+00 0.108233937858298E-05 0.147009342220936E-07 + *O2 0.172176965531815E-02 0.165057339567424E-02 0.108820277949922E-02 0.865828001428591E-04 0.231599021927415E-07 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K + PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS + WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS + + O3 H2O(cr) H2O(L) + NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 9 Area= T Pp= 4.0018456027520299E-002 Tt= 1220.8727319624584 AppNpt= 1228.3162214810959 + 4 3 1068.590 -11.046 -33.777 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 9 Area= T Pp= 4.3859220810825654E-002 Tt= 1068.5896364460511 AppNpt= 1120.7522110173522 + 4 2 1089.808 -11.026 -33.261 @@ -104,51 +237,56 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) KJ/KG-MOL K - FUEL H2(L) 1.0000000 -9012.000 20.270 - OXIDANT O2(L) 1.0000000 -12979.000 90.170 + FUEL H2(L) 0.100000000000000E+01 -0.901200000000000E+04 0.202700000000000E+02 + OXIDANT O2(L) 0.100000000000000E+01 -0.129790000000000E+05 0.901700000000000E+02 - O/F= 5.55157 %FUEL= 15.263517 R,EQ.RATIO= 1.429629 PHI,EQ.RATIO= 1.429629 + O/F= 0.555157000000000E+01 %FUEL= 0.152635169890576E+02 R,EQ.RATIO= 0.142962850852136E+01 PHI,EQ.RATIO= 0.142962850852136E+01 INJECTOR COMB END THROAT EXIT - Pinj/P 1.0000 1.1951 1.8860 1215.64 - P, BAR 53.317 44.613 28.269 0.04386 - T, K 3383.84 3341.13 3179.57 1089.81 - RHO, KG/CU M 2.4097 0 2.0443 0 1.3725 0 6.3927-3 - H, KJ/KG -1026.05 -1238.93 -2206.45 -10698.8 - U, KJ/KG -3238.68 -3421.28 -4266.22 -11384.8 - G, KJ/KG -64163.7 -63757.2 -61701.8 -31090.9 - S, KJ/(KG)(K) 18.6586 18.7117 18.7117 18.7117 - - M, (1/n) 12.716 12.729 12.835 13.207 - (dLV/dLP)t -1.02010 -1.01954 -1.01512 -1.00000 - (dLV/dLT)p 1.3658 1.3599 1.2919 1.0000 - Cp, KJ/(KG)(K) 8.3253 8.2939 7.5801 2.9425 - GAMMAs 1.1447 1.1443 1.1461 1.2722 - SON VEL,M/SEC 1591.5 1580.3 1536.5 934.2 - MACH NUMBER 0.000 0.413 1.000 4.708 + Pinj/P 0.100000000000000E+01 0.119509438030031E+01 0.188603351464464E+01 0.121564403138780E+04 + P, BAR 0.533172000000000E+02 0.446133802307749E+02 0.282694870403964E+02 0.438592208108257E-01 + T, K 0.338384462594510E+04 0.334112678441324E+04 0.317957459577434E+04 0.108980779911942E+04 + RHO, KG/CU M 0.240967731792388E+01 0.204428649650335E+01 0.137246147116012E+01 0.639270097476568E-02 + H, KJ/KG -0.102605493530542E+04 -0.123893392329734E+04 -0.220644973341507E+04 -0.106987506116904E+05 + U, KJ/KG -0.323868314089175E+04 -0.342127873196696E+04 -0.426621517196691E+04 -0.113848333955395E+05 + G, KJ/KG -0.641637491029525E+05 -0.637572025896714E+05 -0.617017971562863E+05 -0.310909419832442E+05 + S, KJ/(KG)(K) 0.186585677378768E+02 0.187117319097345E+02 0.187117319096525E+02 0.187117319109214E+02 + + M, (1/n) 0.127156518704015E+02 0.127293505361358E+02 0.128347647151991E+02 0.132071785754769E+02 + (dLV/dLP)t -0.102010404727908E+01 -0.101954320577710E+01 -0.101511596496537E+01 -0.100000001348144E+01 + (dLV/dLT)p 0.136578843385499E+01 0.135986626857786E+01 0.129186125321875E+01 0.100000066287586E+01 + Cp, KJ/(KG)(K) 0.832530666015866E+01 0.829392621433941E+01 0.758005346070574E+01 0.294252929834594E+01 + GAMMAs 0.114469528826310E+01 0.114428357530171E+01 0.114614909571793E+01 0.127217897675917E+01 + SON VEL,M/SEC 0.159147261415731E+04 0.158025989008315E+04 0.153648895042797E+04 0.934248411253306E+03 + MACH NUMBER 0.000000000000000E+00 0.412907602531960E+00 0.999998157704542E+00 0.470789092086159E+01 PERFORMANCE PARAMETERS - Ae/At 1.5809 1.0000 75.000 - CSTAR, M/SEC 2331.0 2331.0 2331.0 - CF 0.2799 0.6592 1.8869 - Ivac, M/SEC 3997.1 2877.1 4554.3 - Isp, M/SEC 652.5 1536.5 4398.3 + Ae/At 0.158090453944294E+01 0.100000000000000E+01 0.750000000000000E+02 + CSTAR, M/SEC 0.233099699394121E+04 0.233099699394121E+04 0.233099699394121E+04 + CF 0.279923708304922E+00 0.659154054576230E+00 0.188689201427590E+01 + Ivac, M/SEC 0.399708428834201E+04 0.287705497493055E+04 0.455432638185647E+04 + Isp, M/SEC 0.652501322591650E+03 0.153648611976136E+04 0.439833961316880E+04 MOLE FRACTIONS - *H 0.03350 0.03296 0.02716 0.00000 - HO2 0.00001 0.00001 0.00001 0.00000 - *H2 0.29479 0.29453 0.29418 0.30052 - H2O 0.63456 0.63673 0.65176 0.69948 - H2O2 0.00001 0.00000 0.00000 0.00000 - *O 0.00207 0.00197 0.00126 0.00000 - *OH 0.03334 0.03214 0.02454 0.00000 - *O2 0.00172 0.00165 0.00109 0.00000 + *H 0.334978853941612E-01 0.329628941112339E-01 0.271567885283512E-01 0.539296979124895E-07 + HO2 0.149369058588176E-04 0.130334323476253E-04 0.671457982012687E-05 0.000000000000000E+00 + *H2 0.294794419645594E+00 0.294529976427641E+00 0.294182201895200E+00 0.300517551116569E+00 + H2O 0.634556200794807E+00 0.636726238357725E+00 0.651763312748293E+00 0.699482394953733E+00 + H2O2 0.561453514692422E-05 0.479244718702602E-05 0.257790747126381E-05 0.000000000000000E+00 + *O 0.206778128435225E-02 0.196932258520571E-02 0.125561490396091E-02 0.000000000000000E+00 + *OH 0.333413917847615E-01 0.321431692429862E-01 0.245445866574042E-01 0.000000000000000E+00 + *O2 0.172176965531815E-02 0.165057339567424E-02 0.108820277949922E-02 0.000000000000000E+00 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K + PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS + WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS + + O3 H2O(cr) H2O(L) + NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS diff --git a/test/main_interface/reference_output/example11.out b/test/main_interface/reference_output/example11.out index 4339cf3..59481d1 100644 --- a/test/main_interface/reference_output/example11.out +++ b/test/main_interface/reference_output/example11.out @@ -21,12 +21,12 @@ # (g) For exit points, one pressure ratio (pi/p=68.0457), one # subsonic area ratio (sub,ae/at=10), and three supersonic area ratios # (sup,ae/at=10,20,100) are to be included. - + reac fuel = Li(cr) moles= 1. t(k)=298.15 oxid = F2(L) moles= .5556 t(k)=85.02 prob case=11 rocket equilibrium p,psia=1000 ions pi/p=68.0457, sub,ae/at=10, sup,ae/at=10,20,100 - output siunits transport + output siunits transport long end OPTIONS: TP=F HP=F SP=F TV=F UV=F SV=F DETN=F SHOCK=F REFL=F INCD=F @@ -55,19 +55,19 @@ (CONDENSED PHASE MAY HAVE NAME LISTED SEVERAL TIMES) LAST thermo.inp UPDATE: 9/09/04 - g12/98 *e- g 5/97 *F g 3/97 *F+ - g 1/98 *F- tpis89 F2 g 7/97 *Li - g 3/97 *Li+ g 1/98 *Li- tpis89 LiF - j12/83 Li2 tpis82 Li2+ tpis82 Li2F2 - tpis82 Li3+ tpis82 Li3F3 tpis82 Li(cr) - tpis82 Li(cr) tpis82 Li(L) tpis82 LiF(cr) - tpis82 LiF(cr) tpis82 LiF(L) + g12/98 *e- g 5/97 *F g 3/97 *F+ + g 1/98 *F- tpis89 F2 g 7/97 *Li + g 3/97 *Li+ g 1/98 *Li- tpis89 LiF + j12/83 Li2 tpis82 Li2+ tpis82 Li2F2 + tpis82 Li3+ tpis82 Li3F3 tpis82 Li(cr) + tpis82 Li(cr) tpis82 Li(L) tpis82 LiF(cr) + tpis82 LiF(cr) tpis82 LiF(L) SPECIES WITH TRANSPORT PROPERTIES PURE SPECIES - e- F2 Li + e- F2 Li BINARY INTERACTIONS @@ -83,26 +83,43 @@ *Li 0.14407146E+00 0.00000000E+00 0.35648050E-01 *F 0.00000000E+00 0.52636003E-01 0.39612113E-01 *e- 0.00000000E+00 0.00000000E+00 0.00000000E+00 + DBG ROCKET POINT Npt= 1 Eql= T Nfz= 1 ipp= 1 Area= F Pp= 68.947304458095616 Tt= 3800.0000000000000 AppNpt= 1.0000000000000000 - POINT ITN T LI F E + POINT ITN T LI F E 1 11 5680.806 -16.298 -19.927 -9.135 Pinf/Pt = 1.758047 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 39.218127200814116 Tt= 5680.8060895343569 AppNpt= 1.7580468364808701 2 4 5331.461 -16.621 -20.305 -9.769 Pinf/Pt = 1.754417 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 39.299273078171417 Tt= 5331.4611760632224 AppNpt= 1.7544167883449235 2 2 5332.685 -16.620 -20.304 -9.766 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 1.0132499843207670 Tt= 5332.6850274279468 AppNpt= 68.045699999999997 3 6 3508.666 -19.902 -22.630 -15.659 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 68.707015663383643 Tt= 5680.8060895343569 AppNpt= 1.0034972963443678 4 2 5678.545 -16.299 -19.930 -9.139 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 68.831663738381621 Tt= 5678.5445887696351 AppNpt= 1.0016800512065716 4 2 5679.719 -16.298 -19.929 -9.137 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 68.806974518726506 Tt= 5679.7185474845201 AppNpt= 1.0020394726021693 4 2 5679.486 -16.299 -19.929 -9.137 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 68.804156525228095 Tt= 5679.4861606646218 AppNpt= 1.0020805128657457 4 1 5679.460 -16.299 -19.929 -9.137 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 68.804127902571111 Tt= 5679.4596319251577 AppNpt= 1.0020809297332749 4 1 5679.459 -16.299 -19.929 -9.137 + DBG ROCKET POINT Npt= 5 Eql= T Nfz= 1 ipp= 5 Area= T Pp= 0.84976739765808240 Tt= 5679.4593624843137 AppNpt= 81.136678870136734 5 6 3416.040 -20.217 -22.691 -16.203 + DBG ROCKET POINT Npt= 5 Eql= T Nfz= 1 ipp= 5 Area= T Pp= 0.94225877032271221 Tt= 3416.0395656884316 AppNpt= 73.172366901378908 5 3 3470.906 -20.027 -22.657 -15.876 + DBG ROCKET POINT Npt= 5 Eql= T Nfz= 1 ipp= 5 Area= T Pp= 0.94212311052110453 Tt= 3470.9063484020453 AppNpt= 73.182903261931102 5 1 3470.831 -20.027 -22.657 -15.876 + DBG ROCKET POINT Npt= 6 Eql= T Nfz= 1 ipp= 6 Area= T Pp= 0.37377670886652137 Tt= 3470.8308547898278 AppNpt= 184.46121125946681 6 4 2935.588 -22.309 -22.752 -19.840 + DBG ROCKET POINT Npt= 6 Eql= T Nfz= 1 ipp= 6 Area= T Pp= 0.36831589093955897 Tt= 2935.5883947272650 AppNpt= 187.19611657866247 6 2 2926.666 -22.356 -22.750 -19.922 + DBG ROCKET POINT Npt= 7 Eql= T Nfz= 1 ipp= 7 Area= T Pp= 3.9810806298968306E-002 Tt= 2926.6663453943970 AppNpt= 1731.8741032351907 7 6 1931.240 -30.623 -22.342 -34.191 + DBG ROCKET POINT Npt= 7 Eql= T Nfz= 1 ipp= 7 Area= T Pp= 4.3698879941479474E-002 Tt= 1931.2395304385707 AppNpt= 1577.7819603254877 7 3 1955.906 -30.307 -22.341 -33.664 + DBG ROCKET POINT Npt= 7 Eql= T Nfz= 1 ipp= 7 Area= T Pp= 4.3710392469346861E-002 Tt= 1955.9061569188573 AppNpt= 1577.3664010554664 7 2 1955.978 -30.306 -22.341 -33.663 @@ -114,81 +131,81 @@ COMPOSITION DURING EXPANSION FROM INFINITE AREA COMBUSTOR Pin = 1000.0 PSIA - CASE = 11 + CASE = 11 REACTANT MOLES ENERGY TEMP KJ/KG-MOL K - FUEL Li(cr) 1.0000000 -0.000 298.150 - OXIDANT F2(L) 0.5556000 -13091.000 85.020 + FUEL Li(cr) 0.100000000000000E+01 -0.136348109231790E-05 0.298150000000000E+03 + OXIDANT F2(L) 0.555600000000000E+00 -0.130910000000000E+05 0.850200000000000E+02 - O/F= 3.04150 %FUEL= 24.743311 R,EQ.RATIO= 0.899928 PHI,EQ.RATIO= 0.899928 + O/F= 0.304149627371272E+01 %FUEL= 0.247433111965077E+02 R,EQ.RATIO= 0.899928005759539E+00 PHI,EQ.RATIO= 0.899928005759539E+00 CHAMBER THROAT EXIT EXIT EXIT EXIT EXIT - Pinf/P 1.0000 1.7544 68.046 1.0021 73.183 187.20 1577.37 - P, BAR 68.947 39.299 1.0132 68.804 0.94212 0.36832 0.04371 - T, K 5680.81 5332.69 3508.67 5679.46 3470.83 2926.67 1955.98 - RHO, KG/CU M 3.2177 0 1.9944 0 8.6993-2 3.2120 0 8.1862-2 3.8253-2 6.9524-3 - H, KJ/KG -259.28 -1414.50 -7031.63 -263.73 -7115.90 -8109.51 -9765.47 - U, KJ/KG -2402.02 -3385.03 -8196.37 -2405.80 -8266.77 -9072.36 -10394.2 - G, KJ/KG -64725.7 -61930.4 -46848.4 -64714.9 -46503.3 -41321.6 -31962.1 - S, KJ/(KG)(K) 11.3481 11.3481 11.3481 11.3481 11.3481 11.3481 11.3481 - - M, (1/n) 22.043 22.501 25.047 22.045 25.075 25.273 25.867 - (dLV/dLP)t -1.08153 -1.07213 -1.00886 -1.08149 -1.00790 -1.00204 -1.02331 - (dLV/dLT)p 2.0387 1.9745 1.1704 2.0385 1.1524 1.0267 1.3473 - Cp, KJ/(KG)(K) 6.7418 6.5700 2.6448 6.7414 2.5293 1.6315 3.1219 - GAMMAs 1.1779 1.1725 1.1949 1.1779 1.1993 1.2667 1.1956 - SON VEL,M/SEC 1588.7 1520.0 1179.7 1588.4 1174.8 1104.4 867.0 - MACH NUMBER 0.000 1.000 3.120 0.059 3.152 3.588 5.029 + Pinf/P 0.100000000000000E+01 0.175441678834492E+01 0.680457000000000E+02 0.100208092973327E+01 0.731829032619311E+02 0.187196116578662E+03 0.157736640105547E+04 + P, BAR 0.689473044580956E+02 0.392992730781714E+02 0.101324998432077E+01 0.688041279025711E+02 0.942123110521105E+00 0.368315890939559E+00 0.437103924693469E-01 + T, K 0.568080608953436E+04 0.533268502742795E+04 0.350866614825134E+04 0.567945936248431E+04 0.347083085478983E+04 0.292666634539440E+04 0.195597762380687E+04 + RHO, KG/CU M 0.321772066934397E+01 0.199435564182435E+01 0.869933152903173E-01 0.321204683592861E+01 0.818616081000757E-01 0.382528872754543E-01 0.695235583650331E-02 + H, KJ/KG -0.259281083504721E+03 -0.141450253423717E+04 -0.703162986920728E+04 -0.263734637525080E+03 -0.711589842494424E+04 -0.810951443067655E+04 -0.976547065920235E+04 + U, KJ/KG -0.240201849122857E+04 -0.338502736210700E+04 -0.819637451761999E+04 -0.240579953934896E+04 -0.826677138283845E+04 -0.907235911292853E+04 -0.103941840550249E+05 + G, KJ/KG -0.647256801858074E+05 -0.619303863448784E+05 -0.468483510642189E+05 -0.647148509362743E+05 -0.465032606464580E+05 -0.413216392051369E+05 -0.319621153156378E+05 + S, KJ/(KG)(K) 0.113481076604723E+02 0.113481076604723E+02 0.113481076604725E+02 0.113481076604723E+02 0.113481076633735E+02 0.113481076606923E+02 0.113481076604724E+02 + + M, (1/n) 0.220433539215933E+02 0.225009410489544E+02 0.250465540374479E+02 0.220450471056045E+02 0.250751029055905E+02 0.252728161083376E+02 0.258671051403980E+02 + (dLV/dLP)t -0.108152758357009E+01 -0.107213302020975E+01 -0.100885633049739E+01 -0.108149343313510E+01 -0.100790194595928E+01 -0.100203866817650E+01 -0.102330708209743E+01 + (dLV/dLT)p 0.203872017704939E+01 0.197447165686262E+01 0.117042001001026E+01 0.203851222807295E+01 0.115237043664505E+01 0.102671671367449E+01 0.134729377553419E+01 + Cp, KJ/(KG)(K) 0.674183038519822E+01 0.657001007035691E+01 0.264478761684820E+01 0.674135812153019E+01 0.252930383872334E+01 0.163147640225641E+01 0.312192786288104E+01 + GAMMAs 0.117787259044892E+01 0.117251605078830E+01 0.119486507571808E+01 0.117785198003831E+01 0.119931310992387E+01 0.126667590623822E+01 0.119557854815307E+01 + SON VEL,M/SEC 0.158866977723110E+04 0.152002368045837E+04 0.117970873630650E+04 0.158840655563487E+04 0.117484340499463E+04 0.110436052105197E+04 0.866992646440504E+03 + MACH NUMBER 0.000000000000000E+00 0.999993705229712E+00 0.311967864907996E+01 0.594164485202890E-01 0.315202730437900E+01 0.358794195081619E+01 0.502924530706943E+01 TRANSPORT PROPERTIES (GASES ONLY) CONDUCTIVITY IN UNITS OF MILLIWATTS/(CM)(K) - VISC,MILLIPOISE 1.4409 1.3876 1.0809 1.4407 1.0734 0.95798 0.73078 + VISC,MILLIPOISE 0.144086084233322E+01 0.138756891216587E+01 0.108094365141607E+01 0.144065568791414E+01 0.107343363915964E+01 0.957980327677688E+00 0.730779279446989E+00 WITH EQUILIBRIUM REACTIONS - Cp, KJ/(KG)(K) 6.7418 6.5700 2.6448 6.7414 2.5293 1.6315 3.1219 - CONDUCTIVITY 14.4392 13.6899 4.3206 14.4367 4.0890 2.2075 2.6677 - PRANDTL NUMBER 0.6728 0.6659 0.6617 0.6727 0.6640 0.7080 0.8552 + Cp, KJ/(KG)(K) 0.674183038490226E+01 0.657001007031321E+01 0.264478761678052E+01 0.674135812123616E+01 0.252930383841077E+01 0.163147627228976E+01 0.312192785647386E+01 + CONDUCTIVITY 0.144392128293363E+02 0.136898533160665E+02 0.432055209126837E+01 0.144367253693726E+02 0.408901376560418E+01 0.220750048751974E+01 0.266773740218423E+01 + PRANDTL NUMBER 0.672754084455482E+00 0.665919605981778E+00 0.661690062591856E+00 0.672727067471198E+00 0.663984026330257E+00 0.708005358441645E+00 0.855196687489371E+00 WITH FROZEN REACTIONS - Cp, KJ/(KG)(K) 1.6854 1.6503 1.5156 1.6852 1.5137 1.4904 1.4584 - CONDUCTIVITY 3.1519 3.0140 2.2917 3.1513 2.2743 2.0066 1.4888 - PRANDTL NUMBER 0.7705 0.7597 0.7149 0.7704 0.7145 0.7115 0.7159 + Cp, KJ/(KG)(K) 0.168538349186687E+01 0.165025485430167E+01 0.151557398262904E+01 0.168524297447376E+01 0.151373700426589E+01 0.149039042854806E+01 0.145844581433450E+01 + CONDUCTIVITY 0.315185265477646E+01 0.301403971576610E+01 0.229168366793858E+01 0.315131349654330E+01 0.227428101585519E+01 0.200661241261551E+01 0.148875164401176E+01 + PRANDTL NUMBER 0.770468465289995E+00 0.759725335071703E+00 0.714867456487950E+00 0.770426325199351E+00 0.714465894887988E+00 0.711529890940498E+00 0.715903143146033E+00 PERFORMANCE PARAMETERS - Ae/At 1.0000 9.4685 10.000 10.000 20.000 100.00 - CSTAR, M/SEC 2274.4 2274.4 2274.4 2274.4 2274.4 2274.4 - CF 0.6683 1.6181 0.0415 1.6282 1.7422 1.9171 - Ivac, M/SEC 2816.4 3996.8 22791.2 4013.9 4205.4 4504.5 - Isp, M/SEC 1520.0 3680.3 94.4 3703.1 3962.4 4360.3 + Ae/At 0.100000000000000E+01 0.946846739353859E+01 0.100000000000000E+02 0.100000000000000E+02 0.200000000000000E+02 0.100000000000000E+03 + CSTAR, M/SEC 0.227440114666346E+04 0.227440114666346E+04 0.227440114666346E+04 0.227440114666346E+04 0.227440114666346E+04 0.227440114666346E+04 + CF 0.668313993109054E+00 0.161814557743584E+01 0.414955279461674E-01 0.162818177274716E+01 0.174216472240194E+01 0.191712825363775E+01 + Ivac, M/SEC 0.281639998919087E+04 0.399679200925543E+04 0.227911583698866E+05 0.401392161736566E+04 0.420537790700214E+04 0.450450847882734E+04 + Isp, M/SEC 0.152001411225847E+04 0.368031215678849E+04 0.943774763421687E+02 0.370313849091268E+04 0.396238144230760E+04 0.436031869837461E+04 MOLE FRACTIONS - *e- 0.00289 0.00232 0.00009 0.00289 0.00008 0.00000 0.00000 - *F 0.20853 0.19341 0.10760 0.20848 0.10664 0.10062 0.10253 - *F- 0.00458 0.00359 0.00028 0.00457 0.00025 0.00004 0.00000 - F2 0.00002 0.00001 0.00000 0.00002 0.00000 0.00000 0.00000 - *Li 0.11766 0.10160 0.00822 0.11760 0.00716 0.00043 0.00000 - *Li+ 0.00733 0.00584 0.00038 0.00732 0.00033 0.00004 0.00000 - *Li- 0.00002 0.00001 0.00000 0.00002 0.00000 0.00000 0.00000 - LiF 0.65715 0.69175 0.88259 0.65727 0.88467 0.89729 0.87316 - Li2 0.00021 0.00010 0.00000 0.00021 0.00000 0.00000 0.00000 - Li2+ 0.00017 0.00008 0.00000 0.00017 0.00000 0.00000 0.00000 - Li2F2 0.00144 0.00126 0.00084 0.00144 0.00085 0.00158 0.02395 - Li3F3 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00035 + *e- 0.289275638288840E-02 0.232410950637472E-02 0.938970710825231E-04 0.289054696983311E-02 0.793043117935259E-04 0.241201896091936E-05 0.907353324243645E-11 + *F 0.208534914783826E+00 0.193414179378342E+00 0.107599417964870E+00 0.208479080299600E+00 0.106640281359868E+00 0.100616743186799E+00 0.102533477869075E+00 + *F- 0.457744016642773E-02 0.359049296609933E-02 0.281920599152964E-03 0.457348732371094E-02 0.254976171580390E-03 0.365793413807081E-04 0.376222224197686E-07 + F2 0.158656760368220E-04 0.101306476497534E-04 0.663851783926479E-06 0.158396043119223E-04 0.646995256427260E-06 0.684143317715350E-06 0.269002546952637E-05 + *Li 0.117663583043215E+00 0.101602474828662E+00 0.822052162288649E-02 0.117604764432241E+00 0.716282794408845E-02 0.432661115981918E-03 0.206464556942974E-07 + *Li+ 0.732649442642398E-02 0.584349838012702E-02 0.375762188712181E-03 0.732069214505562E-02 0.334238229686475E-03 0.389910704448534E-04 0.376312959530103E-07 + *Li- 0.237790832347844E-04 0.121608137858817E-04 0.616988168992472E-08 0.237225213624841E-04 0.443744962498228E-08 0.719854480451265E-11 0.000000000000000E+00 + LiF 0.657145463860850E+00 0.691752015805156E+00 0.882591759443218E+00 0.657273822724463E+00 0.884674668268076E+00 0.897290899358975E+00 0.873163895364804E+00 + Li2 0.206983650991917E-03 0.102551891629476E-03 0.660381489004760E-07 0.206463355425467E-03 0.487068143411690E-07 0.000000000000000E+00 0.000000000000000E+00 + Li2+ 0.167427281356338E-03 0.832492493218476E-04 0.616512946166972E-07 0.167010984475819E-03 0.466904634589881E-07 0.296903597381866E-09 0.000000000000000E+00 + Li2F2 0.144144424250133E-02 0.126250014808608E-02 0.835275477764111E-03 0.144072775632782E-02 0.852289334007465E-03 0.157903948442512E-02 0.239516302338184E-01 + Li3F3 0.379347747646974E-05 0.262072795399524E-05 0.647921095897428E-06 0.378819781802956E-05 0.667550845413650E-06 0.198997561256716E-05 0.348210597785449E-03 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS - *F+ Li3+ Li(cr) Li(L) LiF(cr) - LiF(L) + *F+ Li3+ Li(cr) Li(L) LiF(cr) + LiF(L) diff --git a/test/main_interface/reference_output/example12.out b/test/main_interface/reference_output/example12.out index 5c9b6a9..b29979f 100644 --- a/test/main_interface/reference_output/example12.out +++ b/test/main_interface/reference_output/example12.out @@ -26,15 +26,15 @@ reac fuel = CH6N2(L) rho,g/cc = .874 oxid = N2O4(L) rho,g/cc = 1.431 - prob rocket case=12 p,psia =1000, pi/p=68.0457, eql frozen nfz=2 + prob rocket case=12 p,psia =1000, pi/p=68.0457, frozen nfz=2 supersonic=5,10,25,50,75,100,150,200, o/f= 2.5, only CO CO2 H HNO HO2 H2 H2O H2O2 N NO NO2 N2 N2O O OH O2 HCO NH CH4 NH2 NH3 H2O(L) C(gr) - output siunits massf plot aeat t p ivac isp mach cf + output siunits massf long end OPTIONS: TP=F HP=F SP=F TV=F UV=F SV=F DETN=F SHOCK=F REFL=F INCD=F - RKT=T FROZ=T EQL=T IONS=F SIUNIT=T DEBUGF=F SHKDBG=F DETDBG=F TRNSPT=F + RKT=T FROZ=T EQL=F IONS=F SIUNIT=T DEBUGF=F SHKDBG=F DETDBG=F TRNSPT=F TRACE= 0.00E+00 S/R= 0.000000E+00 H/R= 0.000000E+00 U/R= 0.000000E+00 @@ -81,210 +81,87 @@ *H 0.13023168E+00 -0.00000000E+00 0.37209051E-01 *N 0.43410559E-01 0.21736532E-01 0.27929111E-01 *O -0.00000000E+00 0.43473063E-01 0.31052188E-01 + DBG ROCKET POINT Npt= 1 Eql= T Nfz= 2 ipp= 1 Area= F Pp= 68.947304458095616 Tt= 3800.0000000000000 AppNpt= 1.0000000000000000 POINT ITN T C H N O 1 10 3382.322 -17.011 -10.171 -12.863 -15.026 Pinf/Pt = 1.733513 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 2 ipp= 2 Area= F Pp= 39.773172998905061 Tt= 3382.3220308046025 AppNpt= 1.7335127991924031 2 3 3203.356 -17.489 -10.420 -13.027 -15.230 Pinf/Pt = 1.731757 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 2 ipp= 2 Area= F Pp= 39.813505286690578 Tt= 3203.3559782840239 AppNpt= 1.7317566981760910 2 2 3203.675 -17.488 -10.420 -13.027 -15.230 - 3 5 2172.702 -21.707 -12.455 -14.122 -17.064 - - 4 4 2398.739 -20.488 -11.907 -13.885 -16.550 - - 4 3 2421.150 -20.379 -11.856 -13.860 -16.503 - - 4 1 2421.193 -20.379 -11.856 -13.860 -16.503 - - 5 4 2171.185 -21.716 -12.459 -14.123 -17.067 - - 5 2 2175.276 -21.692 -12.449 -14.119 -17.057 - - 6 4 1844.669 -24.056 -13.423 -14.421 -17.929 - - 6 2 1841.541 -24.083 -13.434 -14.424 -17.937 - - 7 4 1582.152 -27.066 -14.534 -14.630 -18.603 - - 7 2 1584.462 -27.031 -14.521 -14.629 -18.599 - - 8 3 1441.876 -29.583 -15.392 -14.741 -18.823 - - 8 2 1439.538 -29.631 -15.408 -14.743 -18.826 - - - - - - - THEORETICAL ROCKET PERFORMANCE ASSUMING EQUILIBRIUM - - COMPOSITION DURING EXPANSION FROM INFINITE AREA COMBUSTOR - - Pin = 1000.0 PSIA - CASE = 12 - - REACTANT WT FRACTION ENERGY TEMP - (SEE NOTE) KJ/KG-MOL K - FUEL CH6N2(L) 1.0000000 54200.000 298.150 - OXIDANT N2O4(L) 1.0000000 -17549.000 298.150 - - REACTANT DENSITY= 1210.57 KG/CU M - - O/F= 2.50000 %FUEL= 28.571429 R,EQ.RATIO= 0.998562 PHI,EQ.RATIO= 0.998562 - - CHAMBER THROAT EXIT EXIT EXIT EXIT EXIT EXIT - Pinf/P 1.0000 1.7318 68.046 27.247 67.413 219.33 537.08 908.68 - P, BAR 68.947 39.814 1.0132 2.5305 1.0228 0.31435 0.12837 0.07588 - T, K 3382.32 3203.68 2172.70 2421.19 2175.28 1841.54 1584.46 1439.54 - RHO, KG/CU M 5.8461 0 3.6058 0 1.4329-1 3.1796-1 1.4445-1 5.2817-2 2.5111-2 1.6341-2 - H, KJ/KG 199.89 -426.81 -3711.63 -3024.03 -3705.02 -4473.69 -4968.85 -5225.24 - U, KJ/KG -979.48 -1530.94 -4418.75 -3819.87 -4413.04 -5068.87 -5480.07 -5689.58 - G, KJ/KG -36833.8 -35504.5 -27501.0 -29534.2 -27522.6 -24637.1 -22317.4 -20987.0 - S, KJ/(KG)(K) 10.9492 10.9492 10.9492 10.9492 10.9492 10.9492 10.9492 10.9492 - - M, (1/n) 23.845 24.125 25.547 25.295 25.545 25.726 25.770 25.776 - (dLV/dLP)t -1.02419 -1.02085 -1.00306 -1.00632 -1.00308 -1.00072 -1.00013 -1.00003 - (dLV/dLT)p 1.4620 1.4222 1.0930 1.1720 1.0937 1.0259 1.0053 1.0013 - Cp, KJ/(KG)(K) 5.1298 4.9817 2.8038 3.4673 2.8103 2.1151 1.8234 1.7323 - GAMMAs 1.1378 1.1352 1.1569 1.1414 1.1567 1.1906 1.2176 1.2295 - SON VEL,M/SEC 1158.4 1119.5 904.5 953.1 905.0 841.8 788.9 755.6 - MACH NUMBER 0.000 1.000 3.092 2.664 3.088 3.632 4.075 4.360 - - PERFORMANCE PARAMETERS - - Ae/At 1.0000 10.073 5.0000 10.000 25.000 50.000 75.000 - CSTAR, M/SEC 1707.9 1707.9 1707.9 1707.9 1707.9 1707.9 1707.9 - CF 0.6555 1.6376 1.4868 1.6363 1.7901 1.8825 1.9286 - Ivac, M/SEC 2105.8 3049.8 2852.7 3048.0 3252.0 3374.2 3434.9 - Isp, M/SEC 1119.5 2797.0 2539.3 2794.6 3057.3 3215.2 3294.0 - - - MASS FRACTIONS - - *CO 0.07692 0.06746 0.01022 0.02139 0.01031 0.00217 0.00028 0.00005 - *CO2 0.15207 0.16694 0.25687 0.23931 0.25672 0.26952 0.27248 0.27285 - *H 0.00044 0.00034 0.00001 0.00005 0.00001 0.00000 0.00000 0.00000 - HNO 0.00002 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 - HO2 0.00014 0.00009 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 - *H2 0.00313 0.00267 0.00044 0.00085 0.00045 0.00012 0.00002 0.00000 - H2O 0.28474 0.29296 0.32949 0.32353 0.32944 0.33377 0.33492 0.33511 - H2O2 0.00002 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 - *N 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 - *NO 0.02182 0.01749 0.00161 0.00369 0.00163 0.00036 0.00009 0.00004 - NO2 0.00005 0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 - *N2 0.38097 0.38301 0.39044 0.38947 0.39043 0.39103 0.39115 0.39118 - N2O 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 - *O 0.00504 0.00379 0.00011 0.00041 0.00011 0.00001 0.00000 0.00000 - *OH 0.03490 0.02888 0.00297 0.00682 0.00300 0.00060 0.00011 0.00003 - *O2 0.03971 0.03632 0.00782 0.01447 0.00788 0.00242 0.00095 0.00074 - - * THERMODYNAMIC PROPERTIES FITTED TO 20000.K - - PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MASS FRACTIONS - WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS - - CH4 HCO *NH NH2 NH3 - C(gr) H2O(L) - - NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS - - - - - - 3 3 1339.350 -31.932 -16.172 -14.826 -18.923 - - 3 2 1341.560 -31.877 -16.154 -14.825 -18.921 - - 4 3 1213.561 -35.440 -17.323 -14.938 -19.029 - - 4 2 1211.481 -35.505 -17.344 -14.940 -19.030 - - 5 3 1122.969 -38.477 -18.313 -15.026 -19.108 - - 5 2 1124.900 -38.407 -18.290 -15.024 -19.107 - - - - - - - THEORETICAL ROCKET PERFORMANCE ASSUMING EQUILIBRIUM - - COMPOSITION DURING EXPANSION FROM INFINITE AREA COMBUSTOR - - Pin = 1000.0 PSIA - CASE = 12 - - REACTANT WT FRACTION ENERGY TEMP - (SEE NOTE) KJ/KG-MOL K - FUEL CH6N2(L) 1.0000000 54200.000 298.150 - OXIDANT N2O4(L) 1.0000000 -17549.000 298.150 - - REACTANT DENSITY= 1210.57 KG/CU M - - O/F= 2.50000 %FUEL= 28.571429 R,EQ.RATIO= 0.998562 PHI,EQ.RATIO= 0.998562 - - CHAMBER THROAT EXIT EXIT EXIT - Pinf/P 1.0000 1.7318 1320.02 2234.73 3247.64 - P, BAR 68.947 39.814 0.05223 0.03085 0.02123 - T, K 3382.32 3203.68 1341.56 1211.48 1124.90 - RHO, KG/CU M 5.8461 0 3.6058 0 1.2071-2 7.8956-3 5.8512-3 - H, KJ/KG 199.89 -426.81 -5392.68 -5609.31 -5750.11 - U, KJ/KG -979.48 -1530.94 -5825.40 -6000.07 -6112.94 - G, KJ/KG -36833.8 -35504.5 -20081.7 -18874.1 -18066.9 - S, KJ/(KG)(K) 10.9492 10.9492 10.9492 10.9492 10.9492 - - M, (1/n) 23.845 24.125 25.777 25.778 25.778 - (dLV/dLP)t -1.02419 -1.02085 -1.00001 -1.00000 -1.00000 - (dLV/dLT)p 1.4620 1.4222 1.0004 1.0001 1.0000 - Cp, KJ/(KG)(K) 5.1298 4.9817 1.6899 1.6420 1.6104 - GAMMAs 1.1378 1.1352 1.2361 1.2445 1.2505 - SON VEL,M/SEC 1158.4 1119.5 731.4 697.3 673.6 - MACH NUMBER 0.000 1.000 4.573 4.888 5.121 - - PERFORMANCE PARAMETERS - - Ae/At 1.0000 100.00 150.00 200.00 - CSTAR, M/SEC 1707.9 1707.9 1707.9 1707.9 - CF 0.6555 1.9582 1.9957 2.0198 - Ivac, M/SEC 2105.8 3473.8 3523.2 3554.8 - Isp, M/SEC 1119.5 3344.4 3408.6 3449.6 - - - MASS FRACTIONS - - *CO 0.07692 0.06746 0.00001 0.00000 0.00000 - *CO2 0.15207 0.16694 0.27291 0.27292 0.27293 - *H 0.00044 0.00034 0.00000 0.00000 0.00000 - HNO 0.00002 0.00001 0.00000 0.00000 0.00000 - HO2 0.00014 0.00009 0.00000 0.00000 0.00000 - *H2 0.00313 0.00267 0.00000 0.00000 0.00000 - H2O 0.28474 0.29296 0.33515 0.33516 0.33516 - H2O2 0.00002 0.00001 0.00000 0.00000 0.00000 - *N 0.00001 0.00000 0.00000 0.00000 0.00000 - *NO 0.02182 0.01749 0.00002 0.00001 0.00000 - NO2 0.00005 0.00003 0.00000 0.00000 0.00000 - *N2 0.38097 0.38301 0.39118 0.39119 0.39119 - N2O 0.00001 0.00001 0.00000 0.00000 0.00000 - *O 0.00504 0.00379 0.00000 0.00000 0.00000 - *OH 0.03490 0.02888 0.00001 0.00000 0.00000 - *O2 0.03971 0.03632 0.00071 0.00071 0.00071 - - * THERMODYNAMIC PROPERTIES FITTED TO 20000.K - - PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MASS FRACTIONS - WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS - - CH4 HCO *NH NH2 NH3 - C(gr) H2O(L) - - NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS + DBG ROCKET POINT Npt= 3 Eql= F Nfz= 2 ipp= 3 Area= F Pp= 1.0132499843207670 Tt= 3203.6754411667011 AppNpt= 68.045699999999997 + DBG FROZEN ENTER Nfz= 2 Npt= 3 Pp= 1.0132499843207670 Tt= 3203.6754411667011 + DBG FROZEN ITER= 1 nnn= 3 Tt= 3203.6754411667011 Cpsum= 0.23599346982651945 SsumNfz= 1.3168787178250982 SsumNnn= 1.4690483667667120 Convg= F + DBG FROZEN ITER= 2 nnn= 3 Tt= 1681.1771559580995 Cpsum= 0.21271365478373810 SsumNfz= 1.3168787178250982 SsumNnn= 1.3237344550035957 Convg= F + DBG FROZEN ITER= 3 nnn= 3 Tt= 1627.8568741058459 Cpsum= 0.21126333788980933 SsumNfz= 1.3168787178250982 SsumNnn= 1.3169020390299846 Convg= F + DBG FROZEN ITER= 4 nnn= 3 Tt= 1627.6771860977101 Cpsum= 0.21125833866291943 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787181010269 Convg= F + DBG FROZEN ITER= 5 nnn= 3 Tt= 1627.6771839717690 Cpsum= 0.21125833860376769 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178250978 Convg= T + DBG ROCKET POINT Npt= 4 Eql= F Nfz= 2 ipp= 4 Area= T Pp= 2.3278713943444855 Tt= 1627.6771839717690 AppNpt= 29.618175911951855 + DBG FROZEN ENTER Nfz= 2 Npt= 4 Pp= 2.3278713943444855 Tt= 1627.6771839717690 + DBG FROZEN ITER= 1 nnn= 4 Tt= 1627.6771839717690 Cpsum= 0.21125833860376769 SsumNfz= 1.3168787178250982 SsumNnn= 1.2823998558327152 Convg= F + DBG FROZEN ITER= 2 nnn= 4 Tt= 1916.2325860456701 Cpsum= 0.21838162909023143 SsumNfz= 1.3168787178250982 SsumNnn= 1.3174678001640974 Convg= F + DBG FROZEN ITER= 3 nnn= 4 Tt= 1911.0705325445840 Cpsum= 0.21826882650139737 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168788699257976 Convg= F + DBG FROZEN ITER= 4 nnn= 4 Tt= 1911.0692008149551 Cpsum= 0.21826879733709542 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178251085 Convg= T + DBG ROCKET POINT Npt= 4 Eql= F Nfz= 2 ipp= 4 Area= T Pp= 2.0674381638119992 Tt= 1911.0692008149551 AppNpt= 33.349149524728077 + DBG FROZEN ENTER Nfz= 2 Npt= 4 Pp= 2.0674381638119992 Tt= 1911.0692008149551 + DBG FROZEN ITER= 1 nnn= 4 Tt= 1911.0692008149551 Cpsum= 0.21826879733709542 SsumNfz= 1.3168787178250982 SsumNnn= 1.3217966721696441 Convg= F + DBG FROZEN ITER= 2 nnn= 4 Tt= 1868.4911522129307 Cpsum= 0.21731950392902730 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168893888568483 Convg= F + DBG FROZEN ITER= 3 nnn= 4 Tt= 1868.3994060119123 Cpsum= 0.21731742154352926 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178762238 Convg= T + DBG ROCKET POINT Npt= 4 Eql= F Nfz= 2 ipp= 4 Area= T Pp= 2.0681609430576082 Tt= 1868.3994060119123 AppNpt= 33.337494690409642 + DBG FROZEN ENTER Nfz= 2 Npt= 4 Pp= 2.0681609430576082 Tt= 1868.3994060119123 + DBG FROZEN ITER= 1 nnn= 4 Tt= 1868.3994060119123 Cpsum= 0.21731742154352926 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168642289639583 Convg= F + DBG FROZEN ITER= 2 nnn= 4 Tt= 1868.5239790065943 Cpsum= 0.21732024896760849 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787179193531 Convg= F + DBG FROZEN ITER= 3 nnn= 4 Tt= 1868.5239781961884 Cpsum= 0.21732024894921576 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178250980 Convg= T + DBG ROCKET POINT Npt= 5 Eql= F Nfz= 2 ipp= 5 Area= T Pp= 0.77657086691949440 Tt= 1868.5239781961884 AppNpt= 88.784304685026569 + DBG FROZEN ENTER Nfz= 2 Npt= 5 Pp= 0.77657086691949440 Tt= 1868.5239781961884 + DBG FROZEN ITER= 1 nnn= 5 Tt= 1868.5239781961884 Cpsum= 0.21732024894921576 SsumNfz= 1.3168787178250982 SsumNnn= 1.3574814279245544 Convg= F + DBG FROZEN ITER= 2 nnn= 5 Tt= 1550.0935265469075 Cpsum= 0.20902717089709669 SsumNfz= 1.3168787178250982 SsumNnn= 1.3176427819536276 Convg= F + DBG FROZEN ITER= 3 nnn= 5 Tt= 1544.4377601029564 Cpsum= 0.20885872499807609 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168790256307326 Convg= F + DBG FROZEN ITER= 4 nnn= 5 Tt= 1544.4354839888313 Cpsum= 0.20885865704650541 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178251486 Convg= T + DBG ROCKET POINT Npt= 5 Eql= F Nfz= 2 ipp= 5 Area= T Pp= 0.78980789228004389 Tt= 1544.4354839888313 AppNpt= 87.296297152787659 + DBG FROZEN ENTER Nfz= 2 Npt= 5 Pp= 0.78980789228004389 Tt= 1544.4354839888313 + DBG FROZEN ITER= 1 nnn= 5 Tt= 1544.4354839888313 Cpsum= 0.20885865704650541 SsumNfz= 1.3168787178250982 SsumNnn= 1.3161781140196571 Convg= F + DBG FROZEN ITER= 2 nnn= 5 Tt= 1549.6248988699606 Cpsum= 0.20901324427632062 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168789771461940 Convg= F + DBG FROZEN ITER= 3 nnn= 5 Tt= 1549.6229762636742 Cpsum= 0.20901318712918976 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178251333 Convg= T + DBG ROCKET POINT Npt= 6 Eql= F Nfz= 2 ipp= 6 Area= T Pp= 0.22905716781500335 Tt= 1549.6229762636742 AppNpt= 301.00478896072133 + DBG FROZEN ENTER Nfz= 2 Npt= 6 Pp= 0.22905716781500335 Tt= 1549.6229762636742 + DBG FROZEN ITER= 1 nnn= 6 Tt= 1549.6229762636742 Cpsum= 0.20901318712918976 SsumNfz= 1.3168787178250982 SsumNnn= 1.3681879340603720 Convg= F + DBG FROZEN ITER= 2 nnn= 6 Tt= 1212.3110626034043 Cpsum= 0.19745567189016058 SsumNfz= 1.3168787178250982 SsumNnn= 1.3182909469704729 Convg= F + DBG FROZEN ITER= 3 nnn= 6 Tt= 1203.6713860321399 Cpsum= 0.19711760493545966 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168799269604947 Convg= F + DBG FROZEN ITER= 4 nnn= 6 Tt= 1203.6640026367540 Cpsum= 0.19711731512606284 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178259875 Convg= T + DBG ROCKET POINT Npt= 6 Eql= F Nfz= 2 ipp= 6 Area= T Pp= 0.22781855869631668 Tt= 1203.6640026367540 AppNpt= 302.64129863977735 + DBG FROZEN ENTER Nfz= 2 Npt= 6 Pp= 0.22781855869631668 Tt= 1203.6640026367540 + DBG FROZEN ITER= 1 nnn= 6 Tt= 1203.6640026367540 Cpsum= 0.19711731512606284 SsumNfz= 1.3168787178250982 SsumNnn= 1.3171034709772693 Convg= F + DBG FROZEN ITER= 2 nnn= 6 Tt= 1202.2923671232518 Cpsum= 0.19706344974408163 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787485345557 Convg= F + DBG FROZEN ITER= 3 nnn= 6 Tt= 1202.2921797635793 Cpsum= 0.19706344238267953 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178250987 Convg= T + DBG ROCKET POINT Npt= 7 Eql= F Nfz= 2 ipp= 7 Area= T Pp= 8.8984077618671595E-002 Tt= 1202.2921797635793 AppNpt= 774.82743321293196 + DBG FROZEN ENTER Nfz= 2 Npt= 7 Pp= 8.8984077618671595E-002 Tt= 1202.2921797635793 + DBG FROZEN ITER= 1 nnn= 7 Tt= 1202.2921797635793 Cpsum= 0.19706344238267953 SsumNfz= 1.3168787178250982 SsumNnn= 1.3558467907771321 Convg= F + DBG FROZEN ITER= 2 nnn= 7 Tt= 986.57699252500140 Cpsum= 0.18799031854863668 SsumNfz= 1.3168787178250982 SsumNnn= 1.3177867118126325 Convg= F + DBG FROZEN ITER= 3 nnn= 7 Tt= 981.82331111223618 Cpsum= 0.18777685193793234 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168792336133941 Convg= F + DBG FROZEN ITER= 4 nnn= 7 Tt= 981.82061422882555 Cpsum= 0.18777673072771245 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178252646 Convg= T + DBG ROCKET POINT Npt= 7 Eql= F Nfz= 2 ipp= 7 Area= T Pp= 8.9590230303715476E-002 Tt= 981.82061422882555 AppNpt= 769.58507891274212 + DBG FROZEN ENTER Nfz= 2 Npt= 7 Pp= 8.9590230303715476E-002 Tt= 981.82061422882555 + DBG FROZEN ITER= 1 nnn= 7 Tt= 981.82061422882555 Cpsum= 0.18777673072771245 SsumNfz= 1.3168787178250982 SsumNnn= 1.3165973118834180 Convg= F + DBG FROZEN ITER= 2 nnn= 7 Tt= 983.29309318749449 Cpsum= 0.18784289284495753 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787673930979 Convg= F + DBG FROZEN ITER= 3 nnn= 7 Tt= 983.29283371605777 Cpsum= 0.18784288118940226 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178250998 Convg= T + DBG ROCKET POINT Npt= 8 Eql= F Nfz= 2 ipp= 8 Area= T Pp= 5.2264378369377272E-002 Tt= 983.29283371605777 AppNpt= 1319.2026119743002 + DBG FROZEN ENTER Nfz= 2 Npt= 8 Pp= 5.2264378369377272E-002 Tt= 983.29283371605777 + DBG FROZEN ITER= 1 nnn= 8 Tt= 983.29283371605777 Cpsum= 0.18784288118940226 SsumNfz= 1.3168787178250982 SsumNnn= 1.3392181382217554 Convg= F + DBG FROZEN ITER= 2 nnn= 8 Tt= 873.03956751752821 Cpsum= 0.18278724782734138 SsumNfz= 1.3168787178250982 SsumNnn= 1.3171832484269101 Convg= F + DBG FROZEN ITER= 3 nnn= 8 Tt= 871.58626090864084 Cpsum= 0.18271924034041981 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787744876644 Convg= F + DBG FROZEN ITER= 4 nnn= 8 Tt= 871.58599062344013 Cpsum= 0.18271922768926821 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178251005 Convg= T + DBG ROCKET POINT Npt= 8 Eql= F Nfz= 2 ipp= 8 Area= T Pp= 5.1896232080057114E-002 Tt= 871.58599062344013 AppNpt= 1328.5608934331660 + DBG FROZEN ENTER Nfz= 2 Npt= 8 Pp= 5.1896232080057114E-002 Tt= 871.58599062344013 + DBG FROZEN ITER= 1 nnn= 8 Tt= 871.58599062344013 Cpsum= 0.18271922768926821 SsumNfz= 1.3168787178250982 SsumNnn= 1.3171717310734270 Convg= F + DBG FROZEN ITER= 2 nnn= 8 Tt= 870.18941302740529 Cpsum= 0.18265384290661132 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787702612950 Convg= F + DBG FROZEN ITER= 3 nnn= 8 Tt= 870.18916321379083 Cpsum= 0.18265383120807854 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178250998 Convg= T @@ -298,54 +175,86 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) KJ/KG-MOL K - FUEL CH6N2(L) 1.0000000 54200.000 298.150 - OXIDANT N2O4(L) 1.0000000 -17549.000 298.150 + FUEL CH6N2(L) 0.100000000000000E+01 0.542000000000000E+05 0.298150000000000E+03 + OXIDANT N2O4(L) 0.100000000000000E+01 -0.175490000000000E+05 0.298150000000000E+03 REACTANT DENSITY= 1210.57 KG/CU M - O/F= 2.50000 %FUEL= 28.571429 R,EQ.RATIO= 0.998562 PHI,EQ.RATIO= 0.998562 + O/F= 0.250000000000000E+01 %FUEL= 0.285714285714286E+02 R,EQ.RATIO= 0.998562242276936E+00 PHI,EQ.RATIO= 0.998562242276936E+00 CHAMBER THROAT EXIT EXIT EXIT EXIT EXIT EXIT - Pinf/P 1.0000 1.7318 68.046 33.337 87.296 302.64 769.59 1328.56 - P, BAR 68.947 39.814 1.0132 2.0682 0.78981 0.22782 0.08959 0.05190 - T, K 3382.32 3203.68 1627.68 1868.52 1549.62 1202.29 983.29 870.19 - RHO, KG/CU M 5.8461 0 3.6058 0 1.8062-1 3.2115-1 1.4788-1 5.4980-2 2.6436-2 1.7304-2 - H, KJ/KG 199.89 -426.81 -3389.59 -2960.26 -3525.97 -4113.13 -4463.74 -4637.96 - U, KJ/KG -979.48 -1530.94 -3950.56 -3604.25 -4060.05 -4527.49 -4802.63 -4937.87 - G, KJ/KG -36833.8 -35504.5 -21211.4 -23419.1 -20493.1 -17277.3 -15230.0 -14165.8 - S, KJ/(KG)(K) 10.9492 10.9492 10.9492 10.9492 10.9492 10.9492 10.9492 10.9492 - - M, (1/n) 23.845 24.125 24.125 24.125 24.125 24.125 24.125 24.125 - Cp, KJ/(KG)(K) 5.1298 4.9817 1.7565 1.8069 1.7378 1.6385 1.5618 1.5187 - GAMMAs 1.1378 1.1352 1.2441 1.2357 1.2474 1.2664 1.2832 1.2936 - SON VEL,M/SEC 1158.4 1119.5 835.4 892.1 816.2 724.4 659.4 622.9 - MACH NUMBER 0.000 1.000 3.207 2.818 3.344 4.054 4.631 4.994 + Pinf/P 0.100000000000000E+01 0.173175669817609E+01 0.680457000000000E+02 0.333374946904096E+02 0.872962971527877E+02 0.302641298639777E+03 0.769585078912742E+03 0.132856089343317E+04 + P, BAR 0.689473044580956E+02 0.398135052866906E+02 0.101324998432077E+01 0.206816094305761E+01 0.789807892280044E+00 0.227818558696317E+00 0.895902303037155E-01 0.518962320800571E-01 + T, K 0.338232203080460E+04 0.320367544116670E+04 0.162767718397177E+04 0.186852397819619E+04 0.154962297626367E+04 0.120229217976358E+04 0.983292833716058E+03 0.870189163213791E+03 + RHO, KG/CU M 0.584611677694910E+01 0.360584207244223E+01 0.180623031877616E+00 0.321151869807613E+00 0.147883670107332E+00 0.549798911507316E-01 0.264364159849246E-01 0.173040178547427E-01 + H, KJ/KG 0.199888047742393E+03 -0.426805824880065E+03 -0.338958894093672E+04 -0.296026365941077E+04 -0.352597139227752E+04 -0.411312756596824E+04 -0.446373785089784E+04 -0.463796275467126E+04 + U, KJ/KG -0.979481217167793E+03 -0.153094473298607E+04 -0.395056390287142E+04 -0.360424588012664E+04 -0.406004516236100E+04 -0.452749462622984E+04 -0.480262732197745E+04 -0.493787132224034E+04 + G, KJ/KG -0.368338366212147E+05 -0.355044930280242E+05 -0.212113540278094E+05 -0.234191087710339E+05 -0.204931052491292E+05 -0.172772666253152E+05 -0.152300089927786E+05 -0.141658390440568E+05 + S, KJ/(KG)(K) 0.109492012681440E+02 0.109492012681440E+02 0.109492012681440E+02 0.109492012681440E+02 0.109492012681443E+02 0.109492012681440E+02 0.109492012681440E+02 0.109492012681440E+02 + + M, (1/n) 0.238452460862517E+02 0.241246742568170E+02 0.241246742568170E+02 0.241246742568170E+02 0.241246742568170E+02 0.241246742568170E+02 0.241246742568170E+02 0.241246742568170E+02 + Cp, KJ/(KG)(K) 0.512978586538047E+01 0.498173380421768E+01 0.175650956890441E+01 0.180691138309074E+01 0.173784223451752E+01 0.163848596232521E+01 0.156182151407810E+01 0.151867710611788E+01 + GAMMAs 0.113777832511856E+01 0.113517518492150E+01 0.124410852598917E+01 0.123569450908427E+01 0.124737932191499E+01 0.126637604291625E+01 0.128315390133629E+01 0.129355952308925E+01 + SON VEL,M/SEC 0.115838714898164E+04 0.111954950278594E+04 0.835412313178002E+03 0.892056777389475E+03 0.816206209961250E+03 0.724392516588162E+03 0.659429561771071E+03 0.622855989483157E+03 + MACH NUMBER 0.000000000000000E+00 0.999998666040633E+00 0.320722709724185E+01 0.281823021455370E+01 0.334447794659797E+01 0.405444634839504E+01 0.463135890956528E+01 0.499405807244954E+01 PERFORMANCE PARAMETERS - Ae/At 1.0000 8.3415 5.0000 10.000 25.000 50.000 75.000 - CSTAR, M/SEC 1707.9 1707.9 1707.9 1707.9 1707.9 1707.9 1707.9 - CF 0.6555 1.5688 1.4720 1.5983 1.7196 1.7882 1.8213 - Ivac, M/SEC 2105.8 2888.7 2770.2 2925.4 3078.1 3165.0 3207.0 - Isp, M/SEC 1119.5 2679.4 2514.0 2729.8 2937.0 3054.1 3110.6 + Ae/At 0.100000000000000E+01 0.834152990803176E+01 0.500000000000000E+01 0.100000000000000E+02 0.250000000000000E+02 0.500000000000000E+02 0.750000000000000E+02 + CSTAR, M/SEC 0.170792135206016E+04 0.170792135206016E+04 0.170792135206016E+04 0.170792135206016E+04 0.170792135206016E+04 0.170792135206016E+04 0.170792135206016E+04 + CF 0.655503257220805E+00 0.156878242956682E+01 0.147197724304103E+01 0.159830759525252E+01 0.171964042146486E+01 0.178817073306991E+01 0.182126593739214E+01 + Ivac, M/SEC 0.210578432872623E+04 0.288872625619607E+04 0.277017758764537E+04 0.292543059017583E+04 0.307809522618655E+04 0.316501875175137E+04 0.320699465575844E+04 + Isp, M/SEC 0.111954800935240E+04 0.267935700819398E+04 0.251402136313642E+04 0.272978366909172E+04 0.293701059368557E+04 0.305405497613918E+04 0.311057898225191E+04 MASS FRACTIONS - *CO 0.06746 *CO2 0.16694 *H 0.00034 - HNO 0.00001 HO2 0.00009 *H2 0.00267 - H2O 0.29296 H2O2 0.00001 *NO 0.01749 - NO2 0.00003 *N2 0.38301 N2O 0.00001 - *O 0.00379 *OH 0.02888 *O2 0.03632 + *CO 0.674556042797188E-01 *CO2 0.166936838522844E+00 *H 0.336451024737619E-03 + HNO 0.998728144136187E-05 HO2 0.906650267846343E-04 *H2 0.267038090021688E-02 + H2O 0.292961192258586E+00 H2O2 0.134497729993185E-04 *NO 0.174863500383510E-01 + NO2 0.311787486025163E-04 *N2 0.383009804311440E+00 N2O 0.602311494687129E-05 + *O 0.378669625672446E-02 *OH 0.288804920855565E-01 *O2 0.363187440250496E-01 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MASS FRACTIONS WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS - CH4 HCO *NH NH2 NH3 - C(gr) H2O(L) + NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS + DBG ROCKET POINT Npt= 3 Eql= F Nfz= 2 ipp= 9 Area= T Pp= 3.4970636007891340E-002 Tt= 870.18916321379083 AppNpt= 1971.5770809126041 + DBG FROZEN ENTER Nfz= 2 Npt= 3 Pp= 3.4970636007891340E-002 Tt= 870.18916321379083 + DBG FROZEN ITER= 1 nnn= 3 Tt= 870.18916321379083 Cpsum= 0.18265383120807854 SsumNfz= 1.3168787178250982 SsumNnn= 1.3332411128389217 Convg= F + DBG FROZEN ITER= 2 nnn= 3 Tt= 795.62595305541527 Cpsum= 0.17912122840928621 SsumNfz= 1.3168787178250982 SsumNnn= 1.3170387281000939 Convg= F + DBG FROZEN ITER= 3 nnn= 3 Tt= 794.91553205796902 Cpsum= 0.17908722000431335 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787330169136 Convg= F + DBG FROZEN ITER= 4 nnn= 3 Tt= 794.91546462596864 Cpsum= 0.17908721677602238 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178250982 Convg= T + DBG ROCKET POINT Npt= 3 Eql= F Nfz= 2 ipp= 9 Area= T Pp= 3.5208175003724820E-002 Tt= 794.91546462596864 AppNpt= 1958.2754417348071 + DBG FROZEN ENTER Nfz= 2 Npt= 3 Pp= 3.5208175003724820E-002 Tt= 794.91546462596864 + DBG FROZEN ITER= 1 nnn= 3 Tt= 794.91546462596864 Cpsum= 0.17908721677602238 SsumNfz= 1.3168787178250982 SsumNnn= 1.3165981104337434 Convg= F + DBG FROZEN ITER= 2 nnn= 3 Tt= 796.16197458450813 Cpsum= 0.17914688441676752 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787645610589 Convg= F + DBG FROZEN ITER= 3 nnn= 3 Tt= 796.16176688125950 Cpsum= 0.17914687447593672 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178250998 Convg= T + DBG ROCKET POINT Npt= 4 Eql= F Nfz= 2 ipp= 10 Area= T Pp= 2.0507038547382866E-002 Tt= 796.16176688125950 AppNpt= 3362.1287783113257 + DBG FROZEN ENTER Nfz= 2 Npt= 4 Pp= 2.0507038547382866E-002 Tt= 796.16176688125950 + DBG FROZEN ITER= 1 nnn= 4 Tt= 796.16176688125950 Cpsum= 0.17914687447593672 SsumNfz= 1.3168787178250982 SsumNnn= 1.3392835852782055 Convg= F + DBG FROZEN ITER= 2 nnn= 4 Tt= 702.56515998019142 Cpsum= 0.17463164604601492 SsumNfz= 1.3168787178250982 SsumNnn= 1.3171663656651562 Convg= F + DBG FROZEN ITER= 3 nnn= 4 Tt= 701.40886896776942 Cpsum= 0.17457562139887009 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787639787398 Convg= F + DBG FROZEN ITER= 4 nnn= 4 Tt= 701.40868353197379 Cpsum= 0.17457561241409877 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178250994 Convg= T + DBG ROCKET POINT Npt= 4 Eql= F Nfz= 2 ipp= 10 Area= T Pp= 2.0353586768801543E-002 Tt= 701.40868353197379 AppNpt= 3387.4768728123963 + DBG FROZEN ENTER Nfz= 2 Npt= 4 Pp= 2.0353586768801543E-002 Tt= 701.40868353197379 + DBG FROZEN ITER= 1 nnn= 4 Tt= 701.40868353197379 Cpsum= 0.17457561241409877 SsumNfz= 1.3168787178250982 SsumNnn= 1.3171900596719297 Convg= F + DBG FROZEN ITER= 2 nnn= 4 Tt= 700.15889120564304 Cpsum= 0.17451505710208035 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787718389299 Convg= F + DBG FROZEN ITER= 3 nnn= 4 Tt= 700.15867450079679 Cpsum= 0.17451504660221795 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178251000 Convg= T + DBG ROCKET POINT Npt= 5 Eql= F Nfz= 2 ipp= 11 Area= T Pp= 1.3685794078430454E-002 Tt= 700.15867450079679 AppNpt= 5037.8738758579066 + DBG FROZEN ENTER Nfz= 2 Npt= 5 Pp= 1.3685794078430454E-002 Tt= 700.15867450079679 + DBG FROZEN ITER= 1 nnn= 5 Tt= 700.15867450079679 Cpsum= 0.17451504660221795 SsumNfz= 1.3168787178250982 SsumNnn= 1.3333307030356658 Convg= F + DBG FROZEN ITER= 2 nnn= 5 Tt= 637.16866357829622 Cpsum= 0.17146951032755375 SsumNfz= 1.3168787178250982 SsumNnn= 1.3170246841311577 Convg= F + DBG FROZEN ITER= 3 nnn= 5 Tt= 636.62649382980851 Cpsum= 0.17144341405306651 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787289343409 Convg= F + DBG FROZEN ITER= 4 nnn= 5 Tt= 636.62645257749182 Cpsum= 0.17144341206758565 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178250982 Convg= T + DBG ROCKET POINT Npt= 5 Eql= F Nfz= 2 ipp= 11 Area= T Pp= 1.3782636798845197E-002 Tt= 636.62645257749182 AppNpt= 5002.4756122045155 + DBG FROZEN ENTER Nfz= 2 Npt= 5 Pp= 1.3782636798845197E-002 Tt= 636.62645257749182 + DBG FROZEN ITER= 1 nnn= 5 Tt= 636.62645257749182 Cpsum= 0.17144341206758565 SsumNfz= 1.3168787178250982 SsumNnn= 1.3165864348854845 Convg= F + DBG FROZEN ITER= 2 nnn= 5 Tt= 637.71272210904363 Cpsum= 0.17149570061914668 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787623823810 Convg= F + DBG FROZEN ITER= 3 nnn= 5 Tt= 637.71255642126084 Cpsum= 0.17149569264267545 SsumNfz= 1.3168787178250982 SsumNnn= 1.3168787178250996 Convg= T @@ -359,52 +268,51 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) KJ/KG-MOL K - FUEL CH6N2(L) 1.0000000 54200.000 298.150 - OXIDANT N2O4(L) 1.0000000 -17549.000 298.150 + FUEL CH6N2(L) 0.100000000000000E+01 0.542000000000000E+05 0.298150000000000E+03 + OXIDANT N2O4(L) 0.100000000000000E+01 -0.175490000000000E+05 0.298150000000000E+03 REACTANT DENSITY= 1210.57 KG/CU M - O/F= 2.50000 %FUEL= 28.571429 R,EQ.RATIO= 0.998562 PHI,EQ.RATIO= 0.998562 + O/F= 0.250000000000000E+01 %FUEL= 0.285714285714286E+02 R,EQ.RATIO= 0.998562242276936E+00 PHI,EQ.RATIO= 0.998562242276936E+00 CHAMBER THROAT EXIT EXIT EXIT - Pinf/P 1.0000 1.7318 1958.28 3387.48 5002.48 - P, BAR 68.947 39.814 0.03521 0.02035 0.01378 - T, K 3382.32 3203.68 796.16 700.16 637.71 - RHO, KG/CU M 5.8461 0 3.6058 0 1.2831-2 8.4347-3 6.2709-3 - H, KJ/KG 199.89 -426.81 -4749.31 -4890.46 -4980.29 - U, KJ/KG -979.48 -1530.94 -5023.71 -5131.77 -5200.08 - G, KJ/KG -36833.8 -35504.5 -13466.6 -12556.6 -11962.7 - S, KJ/(KG)(K) 10.9492 10.9492 10.9492 10.9492 10.9492 - - M, (1/n) 23.845 24.125 24.125 24.125 24.125 - Cp, KJ/(KG)(K) 5.1298 4.9817 1.4895 1.4510 1.4259 - GAMMAs 1.1378 1.1352 1.3010 1.3115 1.3187 - SON VEL,M/SEC 1158.4 1119.5 597.5 562.6 538.4 - MACH NUMBER 0.000 1.000 5.266 5.672 5.979 + Pinf/P 0.100000000000000E+01 0.173175669817609E+01 0.195827544173481E+04 0.338747687281240E+04 0.500247561220452E+04 + P, BAR 0.689473044580956E+02 0.398135052866906E+02 0.352081750037248E-01 0.203535867688015E-01 0.137826367988452E-01 + T, K 0.338232203080460E+04 0.320367544116670E+04 0.796161766881259E+03 0.700158674500797E+03 0.637712556421261E+03 + RHO, KG/CU M 0.584611677694910E+01 0.360584207244223E+01 0.128311917193987E-01 0.843469294368101E-02 0.627093272301339E-02 + H, KJ/KG 0.199888047742393E+03 -0.426805824880065E+03 -0.474931113177289E+04 -0.489046474410087E+04 -0.498028983426563E+04 + U, KJ/KG -0.979481217167793E+03 -0.153094473298607E+04 -0.502370633818615E+04 -0.513177271944395E+04 -0.520007590768761E+04 + G, KJ/KG -0.368338366212147E+05 -0.355044930280242E+05 -0.134666465593569E+05 -0.125566429908470E+05 -0.119627329657446E+05 + S, KJ/(KG)(K) 0.109492012681440E+02 0.109492012681440E+02 0.109492012681440E+02 0.109492012681440E+02 0.109492012681440E+02 + + M, (1/n) 0.238452460862517E+02 0.241246742568170E+02 0.241246742568170E+02 0.241246742568170E+02 0.241246742568170E+02 + Cp, KJ/(KG)(K) 0.512978586538047E+01 0.498173380421768E+01 0.148951847929892E+01 0.145100710012461E+01 0.142590265143445E+01 + GAMMAs 0.113777832511856E+01 0.113517518492150E+01 0.130103616731344E+01 0.131151496512979E+01 0.131874768152093E+01 + SON VEL,M/SEC 0.115838714898164E+04 0.111954950278594E+04 0.597493169568560E+03 0.562564681496811E+03 0.538370109456148E+03 + MACH NUMBER 0.000000000000000E+00 0.999998666040633E+00 0.526562005558945E+01 0.567174211536229E+01 0.597869494633376E+01 PERFORMANCE PARAMETERS - Ae/At 1.0000 100.00 150.00 200.00 - CSTAR, M/SEC 1707.9 1707.9 1707.9 1707.9 - CF 0.6555 1.8421 1.8682 1.8846 - Ivac, M/SEC 2105.8 3233.4 3266.3 3287.0 - Isp, M/SEC 1119.5 3146.2 3190.7 3218.8 + Ae/At 0.100000000000000E+01 0.100000000000000E+03 0.150000000000000E+03 0.200000000000000E+03 + CSTAR, M/SEC 0.170792135206016E+04 0.170792135206016E+04 0.170792135206016E+04 0.170792135206016E+04 + CF 0.655503257220805E+00 0.184210591018309E+01 0.186819012058843E+01 0.188460121350438E+01 + Ivac, M/SEC 0.210578432872623E+04 0.323338759332261E+04 0.326634981775487E+04 0.328703369075387E+04 + Isp, M/SEC 0.111954800935240E+04 0.314617201675792E+04 0.319072179666083E+04 0.321875065266262E+04 MASS FRACTIONS - *CO 0.06746 *CO2 0.16694 *H 0.00034 - HNO 0.00001 HO2 0.00009 *H2 0.00267 - H2O 0.29296 H2O2 0.00001 *NO 0.01749 - NO2 0.00003 *N2 0.38301 N2O 0.00001 - *O 0.00379 *OH 0.02888 *O2 0.03632 + *CO 0.674556042797188E-01 *CO2 0.166936838522844E+00 *H 0.336451024737619E-03 + HNO 0.998728144136187E-05 HO2 0.906650267846343E-04 *H2 0.267038090021688E-02 + H2O 0.292961192258586E+00 H2O2 0.134497729993185E-04 *NO 0.174863500383510E-01 + NO2 0.311787486025163E-04 *N2 0.383009804311440E+00 N2O 0.602311494687129E-05 + *O 0.378669625672446E-02 *OH 0.288804920855565E-01 *O2 0.363187440250496E-01 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MASS FRACTIONS WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS - CH4 HCO *NH NH2 NH3 - C(gr) H2O(L) + NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS diff --git a/test/main_interface/reference_output/example13.out b/test/main_interface/reference_output/example13.out index 408aa6d..71996b1 100644 --- a/test/main_interface/reference_output/example13.out +++ b/test/main_interface/reference_output/example13.out @@ -29,7 +29,7 @@ oxid = H2O2(L) wt%=100 t=298.15 prob rocket case=13 p,psia=3000, pi/p=3,10,30,300,equilibrium %fuel = 67. - outp trace= 1.e-10 calories + outp trace= 1.e-10 calories long insert BeO(L) end @@ -94,12 +94,14 @@ *H 0.99859074E-01 0.58798142E-01 0.86308967E-01 *Be 0.22192184E-01 0.00000000E+00 0.14868763E-01 *O 0.00000000E+00 0.58798142E-01 0.19403387E-01 + DBG ROCKET POINT Npt= 1 Eql= T Nfz= 1 ipp= 1 Area= F Pp= 206.84191337428686 Tt= 3800.0000000000000 AppNpt= 1.0000000000000000 POINT ITN T N H BE O 1 13 3002.540 -12.167 -7.983 -13.058 -20.509 Pinf/Pt = 1.741893 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 118.74546363191759 Tt= 3002.5399920248415 AppNpt= 1.7418931809929776 2 4 2794.041 -12.311 -8.132 -13.645 -21.084 PHASE CHANGE, REPLACE BeO(L) WITH BeO(b) @@ -109,11 +111,14 @@ 2 5 2851.000 -12.348 -8.168 -13.473 -20.917 Pinf/Pt = 1.632873 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 126.67363448907834 Tt= 2851.0000144702399 AppNpt= 1.6328726511128924 2 4 2851.000 -12.316 -8.135 -13.473 -20.917 Pinf/Pt = 1.629424 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 126.94170703292143 Tt= 2851.0000144702399 AppNpt= 1.6294243886340987 2 2 2851.000 -12.315 -8.134 -13.473 -20.917 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 68.947304458095616 Tt= 3002.5399920248415 AppNpt= 3.0000000000000000 3 5 2599.985 -12.451 -8.277 -14.306 -21.726 PHASE CHANGE, REPLACE BeO(L) WITH BeO(b) @@ -122,6 +127,7 @@ ADD BeO(L) 3 4 2851.000 -12.621 -8.441 -13.473 -20.916 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= F Pp= 20.684191337428686 Tt= 3002.5399920248415 AppNpt= 10.000000000000000 4 5 2204.191 -12.760 -8.601 -16.143 -23.469 PHASE CHANGE, REPLACE BeO(L) WITH BeO(a) @@ -130,11 +136,13 @@ PHASE CHANGE, REPLACE BeO(a) WITH BeO(b) 4 2 2449.698 -12.946 -8.778 -15.485 -22.293 + DBG ROCKET POINT Npt= 5 Eql= T Nfz= 1 ipp= 5 Area= F Pp= 6.8947304458095617 Tt= 2449.6977871195872 AppNpt= 30.000000000000000 5 5 2063.214 -13.196 -9.043 -18.217 -24.272 PHASE CHANGE, REPLACE BeO(b) WITH BeO(a) 5 2 2068.730 -13.201 -9.047 -18.177 -24.238 + DBG ROCKET POINT Npt= 6 Eql= T Nfz= 1 ipp= 6 Area= F Pp= 0.68947304458095615 Tt= 2068.7303833758360 AppNpt= 300.00000000000000 6 5 1398.106 -13.723 -9.604 -27.042 -30.561 @@ -151,76 +159,76 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) CAL/MOL K - FUEL N2H4(L) 0.8000000 12041.109 298.150 - FUEL Be(a) 0.2000000 0.000 298.150 - OXIDANT H2O2(L) 1.0000000 -44880.497 298.150 + FUEL N2H4(L) 0.800000000000000E+00 0.120411089758075E+05 0.298150000000000E+03 + FUEL Be(a) 0.200000000000000E+00 0.417340624183994E-06 0.298150000000000E+03 + OXIDANT H2O2(L) 0.100000000000000E+01 -0.448804971416165E+05 0.298150000000000E+03 - O/F= 0.49254 %FUEL= 67.000000 R,EQ.RATIO= 2.990367 PHI,EQ.RATIO= 4.980734 + O/F= 0.492537313432836E+00 %FUEL= 0.670000000000000E+02 R,EQ.RATIO= 0.299036690975219E+01 PHI,EQ.RATIO= 0.498073381950438E+01 CHAMBER THROAT EXIT EXIT EXIT EXIT - Pinf/P 1.0000 1.6294 3.0000 10.000 30.000 300.00 - P, ATM 204.14 125.28 68.046 20.414 6.8046 0.68046 - T, K 3002.54 2851.00 2851.00 2449.70 2068.73 1398.11 - RHO, G/CC 1.3776-2 8.9125-3 4.8338-3 1.6929-3 6.6916-4 9.9051-5 - H, CAL/G -234.01 -403.86 -611.80 -995.93 -1291.19 -1761.87 - U, CAL/G -592.87 -744.28 -952.71 -1287.95 -1537.45 -1928.24 - G, CAL/G -10072.6 -9745.93 -9953.86 -9023.02 -8069.94 -6343.14 - S, CAL/(G)(K) 3.2768 3.2768 3.2768 3.2768 3.2768 3.2768 - - M, (1/n) 16.627 16.643 16.619 16.670 16.694 16.700 - MW, MOL WT 13.431 13.420 13.405 13.378 13.377 13.378 - (dLV/dLP)t -1.00278 -1.00211 -1.00265 -1.00097 -1.00023 -1.00002 - (dLV/dLT)p 1.0460 0.0000 0.0000 1.0208 1.0054 1.0001 - Cp, CAL/(G)(K) 0.9735 0.0000 0.0000 0.8127 0.7474 0.6651 - GAMMAs 1.1515 0.9979 0.9974 1.1791 1.1916 1.2180 - SON VEL,M/SEC 1314.9 1192.2 1192.7 1200.2 1108.0 920.8 - MACH NUMBER 0.000 1.000 1.491 2.104 2.684 3.883 + Pinf/P 0.100000000000000E+01 0.162942438863410E+01 0.300000000000000E+01 0.100000000000000E+02 0.300000000000000E+02 0.300000000000000E+03 + P, ATM 0.204137096841142E+03 0.125281724187438E+03 0.680456989470472E+02 0.204137096841142E+02 0.680456989470472E+01 0.680456989470472E+00 + T, K 0.300253999202484E+04 0.285100001447024E+04 0.285100001447024E+04 0.244969778711959E+04 0.206873038337584E+04 0.139810558023279E+04 + RHO, G/CC 0.137760255780370E-01 0.891245649059299E-02 0.483376320978058E-02 0.169291789079260E-02 0.669160941850630E-03 0.990509382609096E-04 + H, CAL/G -0.234012377890702E+03 -0.403864299056814E+03 -0.611795713974183E+03 -0.995932661045504E+03 -0.129119085577567E+04 -0.176187142107728E+04 + U, CAL/G -0.592870623979916E+03 -0.744284430902606E+03 -0.952706109075292E+03 -0.128795157134835E+04 -0.153745151186150E+04 -0.192823835859490E+04 + G, CAL/G -0.100726401523248E+05 -0.974593068344581E+04 -0.995386209836323E+04 -0.902302464028369E+04 -0.806994093462853E+04 -0.634313942659986E+04 + S, CAL/(G)(K) 0.327676826972059E+01 0.327676826972058E+01 0.327676826972060E+01 0.327676826972058E+01 0.327676826972060E+01 0.327676827150621E+01 + + M, (1/n) 0.166268835293018E+02 0.166428219907717E+02 0.166188879476797E+02 0.166704190888949E+02 0.166937476760279E+02 0.167000561374567E+02 + MW, MOL WT 0.134314613239947E+02 0.134197907081378E+02 0.134048961517048E+02 0.133780626077004E+02 0.133768078260376E+02 0.133781469848001E+02 + (dLV/dLP)t -0.100277822250713E+01 -0.100211193142519E+01 -0.100264933961209E+01 -0.100097451947807E+01 -0.100023319224212E+01 -0.100001747562415E+01 + (dLV/dLT)p 0.104596603430186E+01 0.000000000000000E+00 0.000000000000000E+00 0.102082406037659E+01 0.100538760428607E+01 0.100012342101663E+01 + Cp, CAL/(G)(K) 0.973501415147216E+00 0.000000000000000E+00 0.000000000000000E+00 0.812739221827662E+00 0.747386156688929E+00 0.665056396685756E+00 + GAMMAs 0.115146259576769E+01 0.997892519429251E+00 0.997357660841712E+00 0.117906412494111E+01 0.119155722695532E+01 0.121795363719675E+01 + SON VEL,M/SEC 0.131486819497931E+04 0.119218962815738E+04 0.119272802524052E+04 0.120024536809077E+04 0.110802818202360E+04 0.920756360011020E+03 + MACH NUMBER 0.000000000000000E+00 0.100000167690634E+01 0.149070191913057E+01 0.210375695461366E+01 0.268431937327099E+01 0.388336089425138E+01 PERFORMANCE PARAMETERS - Ae/At 1.0000 1.2363 2.4857 5.3386 30.001 - CSTAR, FT/SEC 6386.7 6386.7 6386.7 6386.7 6386.7 - CF 0.6124 0.9133 1.2971 1.5279 1.8368 - Ivac,LB-SEC/LB 243.4 263.1 306.8 338.6 384.5 - Isp, LB-SEC/LB 121.6 181.3 257.5 303.3 364.6 + Ae/At 0.100000000000000E+01 0.123630573482301E+01 0.248566153759785E+01 0.533860653924752E+01 0.300007710139637E+02 + CSTAR, FT/SEC 0.638674281642435E+04 0.638674281642435E+04 0.638674281642435E+04 0.638674281642435E+04 0.638674281642435E+04 + CF 0.612422321119883E+00 0.913349884372703E+00 0.129709130178552E+01 0.152788242747724E+01 0.183678119303393E+01 + Ivac,LB-SEC/LB 0.243395760577655E+03 0.263110579744542E+03 0.306822798421121E+03 0.338619250197156E+03 0.384463848696211E+03 + Isp, LB-SEC/LB 0.121569711133227E+03 0.181305739156787E+03 0.257480841950924E+03 0.303294342724620E+03 0.364612704912118E+03 MOLE FRACTIONS - *Be 8.554 -6 4.103 -6 7.553 -6 2.551 -7 1.917 -9 1.439-16 - BeH 1.324 -6 4.834 -7 6.549 -7 1.101 -8 4.198-11 6.619-19 - BeH2 7.010 -6 2.895 -6 2.886 -6 8.839 -8 9.516-10 6.843-16 - BeN 4.318 -8 1.314 -8 1.781 -8 1.656-10 2.908-13 4.164-22 - *BeO 4.359 -7 1.863 -7 3.431 -7 8.118 -9 3.730-11 6.566-19 - BeOH 2.240 -4 1.248 -4 1.692 -4 1.108 -5 2.335 -7 7.145-13 - Be(OH)2 7.2678-3 5.7344-3 5.7215-3 1.4065-3 2.0281-4 4.5262-7 - Be2O 1.122 -6 4.098 -7 7.545 -7 5.556 -9 5.369-12 5.606-22 - Be2O2 1.849 -7 9.083 -8 1.673 -7 3.178 -9 9.851-12 3.673-20 - Be3O3 3.217 -6 1.970 -6 3.628 -6 7.568 -8 2.573-10 1.125-18 - Be4O4 9.289 -7 7.449 -7 1.372 -6 3.683 -8 1.685-10 1.590-18 - *H 7.1460-3 5.5920-3 7.5786-3 2.8413-3 6.2797-4 3.6751-6 - HNO 8.685 -8 4.126 -8 4.121 -8 3.703 -9 1.521-10 8.697-15 - HNO2 1.924-10 8.096-11 8.089-11 4.762-12 1.022-13 7.412-19 - HO2 2.057 -9 9.303-10 1.262 -9 7.734-11 1.366-12 2.958-18 - *H2 5.1468-1 5.1518-1 5.1377-1 5.1519-1 5.1626-1 5.1664-1 - H2O 5.3371-2 5.4925-2 5.4802-2 5.9185-2 6.0446-2 6.0664-2 - H2O2 4.379 -9 2.132 -9 2.129 -9 2.004-10 7.866-12 3.476-16 - *N 4.187 -7 1.912 -7 2.593 -7 1.691 -8 3.793-10 1.893-15 - *NH 2.333 -6 1.089 -6 1.087 -6 9.190 -8 3.639 -9 1.728-13 - NH2 1.865 -5 9.846 -6 7.232 -6 1.105 -6 1.206 -7 2.264-10 - NH3 3.0669-4 2.1088-4 1.1398-4 4.9816-5 2.7364-5 1.3079-5 - NH2OH 2.606 -9 1.047 -9 5.661-10 4.320-11 2.307-12 9.231-16 - *NO 1.631 -5 1.030 -5 1.399 -5 2.560 -6 2.032 -7 4.624-11 - *N2 2.2449-1 2.2435-1 2.2415-1 2.2374-1 2.2373-1 2.2376-1 - N2H2 7.223 -9 2.737 -9 1.481 -9 9.574-11 4.505-12 1.313-15 - N2O 7.916 -9 3.888 -9 3.887 -9 3.857-10 1.783-11 1.455-15 - N3H 1.411-10 4.533-11 2.455-11 9.133-13 2.029-14 5.267-19 - *O 2.086 -6 1.181 -6 2.177 -6 2.321 -7 7.216 -9 5.494-14 - *OH 2.6710-4 1.9071-4 2.5858-4 7.0365-5 9.3363-6 1.0156-8 - *O2 8.554 -8 5.030 -8 9.273 -8 1.098 -8 3.612-10 3.077-15 - BeO(a) 0.0000 0 0.0000 0 0.0000 0 0.0000 0 1.9869-1 1.9892-1 - BeO(b) 0.0000 0 2.0209-2 1.6164-1 1.9750-1 0.0000 0 0.0000 0 - BeO(L) 1.9218-1 1.7345-1 3.1752-2 0.0000 0 0.0000 0 0.0000 0 + *Be 0.855438525839852E-05 0.410325499433648E-05 0.755346265052896E-05 0.255051017061940E-06 0.191721678750382E-08 0.143931205495640E-15 + BeH 0.132426755490358E-05 0.483448135190733E-06 0.654874806854968E-06 0.110089749094697E-07 0.419840987448279E-10 0.661866397086704E-18 + BeH2 0.701016107401562E-05 0.289490306567704E-05 0.288558076839445E-05 0.883861480040376E-07 0.951621297313438E-09 0.684260492916870E-15 + BeN 0.431828942240112E-07 0.131371069045823E-07 0.178117893152841E-07 0.165585881955497E-09 0.290793461076510E-12 0.416438235988040E-21 + *BeO 0.435900880260196E-06 0.186307690439846E-06 0.343131464626534E-06 0.811796598127831E-08 0.372996023409510E-10 0.656605957298383E-18 + BeOH 0.224019741145873E-03 0.124820510279449E-03 0.169163448623661E-03 0.110823957610671E-04 0.233499359712131E-06 0.714522211087652E-12 + Be(OH)2 0.726780196242401E-02 0.573435745587337E-02 0.572147935673270E-02 0.140648456415865E-02 0.202808314655487E-03 0.452622613451149E-06 + Be2O 0.112214058283236E-05 0.409847413525678E-06 0.754466182276028E-06 0.555648012615589E-08 0.536942627813658E-11 0.560598335330115E-21 + Be2O2 0.184919581237196E-06 0.908340750256696E-07 0.167293304575753E-06 0.317760856551617E-08 0.985074703849961E-11 0.367266610642372E-19 + Be3O3 0.321656825783029E-05 0.196972657875654E-05 0.362773626943127E-05 0.756807293831120E-07 0.257330863728203E-09 0.112532239692777E-17 + Be4O4 0.928872460482254E-06 0.744881207739031E-06 0.137188206874823E-05 0.368297301333069E-07 0.168491148721074E-09 0.158974652101689E-17 + *H 0.714604882672042E-02 0.559203514826545E-02 0.757862588758431E-02 0.284132703886510E-02 0.627973890402502E-03 0.367513627506711E-05 + HNO 0.868485378357484E-07 0.412626218523025E-07 0.412078366267518E-07 0.370306697383422E-08 0.152091311477703E-09 0.869720549866727E-14 + HNO2 0.192416644631715E-09 0.809617994707867E-10 0.808938173435742E-10 0.476184044878222E-11 0.102208715370327E-12 0.741230889016371E-18 + HO2 0.205683597677598E-08 0.930340596491027E-09 0.126208008533668E-08 0.773419112730572E-10 0.136621842533088E-11 0.295849291971045E-17 + *H2 0.514682691701957E+00 0.515181206037075E+00 0.513773148304511E+00 0.515194362551979E+00 0.516260041160889E+00 0.516640705238472E+00 + H2O 0.533711184281769E-01 0.549249150454994E-01 0.548015658286607E-01 0.591851734035251E-01 0.604464383004454E-01 0.606644011570064E-01 + H2O2 0.437907416919556E-08 0.213229488365226E-08 0.212854590692908E-08 0.200395408436780E-09 0.786555405439302E-11 0.347643202721714E-15 + *N 0.418715911101135E-06 0.191153219317604E-06 0.259299461351325E-06 0.169099965343142E-07 0.379320070751248E-09 0.189294209132373E-14 + *NH 0.233293276228141E-05 0.108909473309544E-05 0.108711745881268E-05 0.919004889667440E-07 0.363869229110421E-08 0.172823033934094E-12 + NH2 0.186521203146888E-04 0.984598342642874E-05 0.723203847152089E-05 0.110500197294460E-05 0.120645590494586E-06 0.226442504822373E-09 + NH3 0.306694952378811E-03 0.210883912175042E-03 0.113981899911413E-03 0.498161219360272E-04 0.273641372186144E-04 0.130789122641856E-04 + NH2OH 0.260572572426052E-08 0.104682333013092E-08 0.566080268985293E-09 0.431999920909427E-10 0.230683229141661E-11 0.923125224503590E-15 + *NO 0.163146415248455E-04 0.103046432121317E-04 0.139850859527305E-04 0.256023239311886E-05 0.203199693542759E-06 0.462372958368094E-10 + *N2 0.224487654159383E+00 0.224348533934040E+00 0.224147278373373E+00 0.223739960342815E+00 0.223731923792099E+00 0.223761629710532E+00 + N2H2 0.722304905823116E-08 0.273748289402484E-08 0.148095982576295E-08 0.957370724630940E-10 0.450488014183797E-11 0.131313398303156E-14 + N2O 0.791577509876133E-08 0.388822611089848E-08 0.388663653726412E-08 0.385702236311232E-09 0.178345514316393E-10 0.145519798507922E-14 + N3H 0.141097377605006E-09 0.453332874547397E-10 0.245475695420946E-10 0.913268185471702E-12 0.202868632957783E-13 0.526660782791883E-18 + *O 0.208623225586204E-05 0.118140404582275E-05 0.217690961828017E-05 0.232091969136831E-06 0.721618248351997E-08 0.549403002612507E-13 + *OH 0.267099359537027E-03 0.190706737723433E-03 0.258582301265538E-03 0.703647442246900E-04 0.933631790100063E-05 0.101560355263416E-07 + *O2 0.855364140353428E-07 0.502985223078958E-07 0.927276712932026E-07 0.109798125420504E-07 0.361152799316116E-09 0.307659965236959E-14 + BeO(a) 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.198693541699646E+00 0.198916046840359E+00 + BeO(b) 0.000000000000000E+00 0.202085317184004E-01 0.161642011821644E+00 0.197496923360961E+00 0.000000000000000E+00 0.000000000000000E+00 + BeO(L) 0.192184048831013E+00 0.173450409320619E+00 0.317519027467216E-01 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K diff --git a/test/main_interface/reference_output/example14.out b/test/main_interface/reference_output/example14.out index 280fedc..9cb6db6 100644 --- a/test/main_interface/reference_output/example14.out +++ b/test/main_interface/reference_output/example14.out @@ -28,7 +28,7 @@ prob tp p,atm=.05 case=14 t,k = 1000,500,350,305,304.3,304.2,304,300, - output siunits debug + output siunits debug long end @@ -92,34 +92,34 @@ REACTANT MOLES ENERGY TEMP KJ/KG-MOL K - NAME H2(L) 100.0000000 -9012.000 20.270 - NAME O2(L) 60.0000000 -12979.000 90.170 + NAME H2(L) 0.100000000000000E+03 -0.901200000000000E+04 0.202700000000000E+02 + NAME O2(L) 0.600000000000000E+02 -0.129790000000000E+05 0.901700000000000E+02 - O/F= 0.00000 %FUEL= 0.000000 R,EQ.RATIO= 0.833333 PHI,EQ.RATIO= 0.000000 + O/F= 0.000000000000000E+00 %FUEL= 0.000000000000000E+00 R,EQ.RATIO= 0.833333333333333E+00 PHI,EQ.RATIO= 0.000000000000000E+00 THERMODYNAMIC PROPERTIES - P, BAR 0.05066 0.05066 0.05066 0.05066 0.05066 0.05066 0.05066 0.05066 - T, K 1000.00 500.00 350.00 305.00 304.30 304.20 304.00 300.00 - RHO, KG/CU M 1.1752-2 2.3504-2 3.3577-2 3.8530-2 4.4986-2 4.7154-2 5.1463-2 1.3035-1 - H, KJ/KG -10066.0 -11043.6 -11309.1 -11386.9 -11709.2 -11798.3 -11953.3 -12988.7 - U, KJ/KG -10497.1 -11259.2 -11460.0 -11518.4 -11821.8 -11905.7 -12051.7 -13027.6 - G, KJ/KG -23601.6 -17139.8 -15355.8 -14840.7 -14833.0 -14832.0 -14830.0 -14801.2 - S, KJ/(KG)(K) 13.5356 12.1924 11.5619 11.3239 10.2656 9.9726 9.4630 6.0416 - - M, (1/n) 19.287 19.287 19.287 19.287 22.466 23.541 25.676 64.179 - MW, MOL WT 19.287 19.287 19.287 19.287 19.287 19.287 19.287 19.287 - (dLV/dLP)t -1.00000 -1.00000 -1.00000 -1.00000 -9.44324 -9.01195 -8.26277 -3.30560 - (dLV/dLT)p 1.0000 1.0000 1.0000 1.0000 146.9896 139.5911 126.7383 41.6028 - Cp, KJ/(KG)(K) 2.1108 1.8069 1.7370 1.7233 936.2427 848.8372 707.1959 95.8701 - GAMMAs 1.2567 1.3133 1.3301 1.3336 1.1080 1.1059 1.1018 1.0344 - SON VEL,M/SEC 736.0 532.1 448.0 418.8 353.3 344.7 329.3 200.5 + P, BAR 0.506625000000000E-01 0.506625000000000E-01 0.506625000000000E-01 0.506625000000000E-01 0.506625000000000E-01 0.506625000000000E-01 0.506625000000000E-01 0.506625000000000E-01 + T, K 0.100000000000000E+04 0.500000000000000E+03 0.350000000000000E+03 0.305000000000000E+03 0.304300000000000E+03 0.304200000000000E+03 0.304000000000000E+03 0.300000000000000E+03 + RHO, KG/CU M 0.117517758842168E-01 0.235035562364633E-01 0.335765089092327E-01 0.385304200597755E-01 0.449855648462181E-01 0.471539556935973E-01 0.514632436660059E-01 0.130354178289174E+00 + H, KJ/KG -0.100660000044365E+05 -0.110436451271087E+05 -0.113090978321605E+05 -0.113869366408749E+05 -0.117091583464433E+05 -0.117983049427346E+05 -0.119532599099541E+05 -0.129887065275019E+05 + U, KJ/KG -0.104971050603800E+05 -0.112591976141039E+05 -0.114599845730572E+05 -0.115184236579420E+05 -0.118217778059814E+05 -0.119057455577472E+05 -0.120517039573772E+05 -0.130275717949332E+05 + G, KJ/KG -0.236016149815608E+05 -0.171398499939668E+05 -0.153557801807642E+05 -0.148407323611792E+05 -0.148329695792290E+05 -0.148319579114611E+05 -0.148300158984532E+05 -0.148012013534529E+05 + S, KJ/(KG)(K) 0.135356149771243E+02 0.121924097337162E+02 0.115619495674391E+02 0.113239203944402E+02 0.102655643535516E+02 0.997256071244759E+01 0.946301312006260E+01 0.604164941983670E+01 + + M, (1/n) 0.192865054245408E+02 0.192865090909091E+02 0.192865090909088E+02 0.192865090909089E+02 0.224659699431666E+02 0.235411342507847E+02 0.256756107267518E+02 0.641794889076014E+02 + MW, MOL WT 0.192865054242907E+02 0.192865090909092E+02 0.192865090909090E+02 0.192865090909090E+02 0.192865090909093E+02 0.192865090909049E+02 0.192865090909089E+02 0.192865090909090E+02 + (dLV/dLP)t -0.100000004751204E+01 -0.100000000000000E+01 -0.100000000000001E+01 -0.100000000000001E+01 -0.944324240336355E+01 -0.901195319392690E+01 -0.826276742772618E+01 -0.330559815310194E+01 + (dLV/dLT)p 0.100000366810503E+01 0.999999999999996E+00 0.999999999999996E+00 0.100000000000001E+01 0.146989592390094E+03 0.139591061240642E+03 0.126738258852100E+03 0.416027599476651E+02 + Cp, KJ/(KG)(K) 0.211084343840476E+01 0.180691537310826E+01 0.173699435840094E+01 0.172331137357604E+01 0.936242677938512E+03 0.848837184332291E+03 0.707195910521217E+03 0.958700992159026E+02 + GAMMAs 0.125665241016565E+01 0.131334620981689E+01 0.133012365299595E+01 0.133361928413952E+01 0.110804772900394E+01 0.110594037154926E+01 0.110178735872568E+01 0.103439063646583E+01 + SON VEL,M/SEC 0.736036145570251E+03 0.532066764430635E+03 0.447993329180299E+03 0.418752458589307E+03 0.353253076961704E+03 0.344706996863404E+03 0.329339349292644E+03 0.200504036654397E+03 MOLE FRACTIONS - H2O 0.90909 0.90909 0.90909 0.90909 0.76757 0.72836 0.66025 0.20960 - *O2 0.09091 0.09091 0.09091 0.09091 0.09091 0.09091 0.09091 0.09091 - H2O(L) 0.00000 0.00000 0.00000 0.00000 0.14152 0.18073 0.24884 0.69949 + H2O 0.909090356060496E+00 0.909090909090918E+00 0.909090909090909E+00 0.909090909090908E+00 0.767567491214873E+00 0.728359381265809E+00 0.660251584338799E+00 0.209599832100182E+00 + *O2 0.909088835389052E-01 0.909090909090818E-01 0.909090909090915E-01 0.909090909090921E-01 0.909090909090912E-01 0.909090909090620E-01 0.909090909090979E-01 0.909090909090933E-01 + H2O(L) 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.141523417876036E+00 0.180731527825129E+00 0.248839324752103E+00 0.699491076990725E+00 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K diff --git a/test/main_interface/reference_output/example2.out b/test/main_interface/reference_output/example2.out index a41d355..95ef534 100644 --- a/test/main_interface/reference_output/example2.out +++ b/test/main_interface/reference_output/example2.out @@ -26,7 +26,7 @@ prob case=Example-2 phi,eq.ratio=1, tv t(k)=3000 rho,g/cc=9.1864d-05,8.0877d-06,6.6054d-07 only Ar C CO CO2 H H2 H2O HNO HO2 HNO2 HNO3 N NH NO N2 N2O3 O O2 OH O3 - outp transport calories + outp calories transport long end OPTIONS: TP=T HP=F SP=F TV=T UV=F SV=F DETN=F SHOCK=F REFL=F INCD=F @@ -129,60 +129,60 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) CAL/MOL K - FUEL H2 1.0000000 0.000 0.000 - OXIDANT Air 1.0000000 0.000 0.000 + FUEL H2 0.100000000000000E+01 0.000000000000000E+00 0.000000000000000E+00 + OXIDANT Air 0.100000000000000E+01 0.000000000000000E+00 0.000000000000000E+00 - O/F= 34.29623 %FUEL= 2.833164 R,EQ.RATIO= 1.000000 PHI,EQ.RATIO= 1.000000 + O/F= 0.342962255762164E+02 %FUEL= 0.283316412357085E+01 R,EQ.RATIO= 0.100000000000000E+01 PHI,EQ.RATIO= 0.100000000000000E+01 THERMODYNAMIC PROPERTIES - P, ATM 1.0009 0.10003 0.00999 - T, K 3000.00 3000.00 3000.00 - RHO, G/CC 9.1864-5 8.0877-6 6.6054-7 - H, CAL/G 663.55 1369.41 2647.69 - U, CAL/G 399.70 1069.89 2281.49 - G, CAL/G -7974.30 -8616.61 -9381.38 - S, CAL/(G)(K) 2.8793 3.3287 4.0097 - - M, (1/n) 22.595 19.904 16.279 - (dLV/dLP)t -1.03441 -1.07867 -1.07476 - (dLV/dLT)p 1.6955 2.5332 2.4127 - Cp, CAL/(G)(K) 1.6812 3.4395 3.7156 - GAMMAs 1.1312 1.1206 1.1318 - SON VEL,M/SEC 1117.5 1185.0 1316.9 + P, ATM 0.100087146755911E+01 0.100029713662692E+00 0.998851264937506E-02 + T, K 0.300000000000000E+04 0.300000000000000E+04 0.300000000000000E+04 + RHO, G/CC 0.918640000000000E-04 0.808770000000000E-05 0.660540000000000E-06 + H, CAL/G 0.663554323761364E+03 0.136940911490736E+04 0.264769370528585E+04 + U, CAL/G 0.399703840794038E+03 0.106988697575811E+04 0.228148670793794E+04 + G, CAL/G -0.797429745601239E+04 -0.861661031499115E+04 -0.938138152924220E+04 + S, CAL/(G)(K) 0.287928392659125E+01 0.332867314329951E+01 0.400969174484268E+01 + + M, (1/n) 0.225947918778692E+02 0.199038600834490E+02 0.162794452118518E+02 + (dLV/dLP)t -0.103440589277052E+01 -0.107866534465021E+01 -0.107476019268604E+01 + (dLV/dLT)p 0.169550154152836E+01 0.253320193289805E+01 0.241267538576181E+01 + Cp, CAL/(G)(K) 0.168119433834956E+01 0.343953850640927E+01 0.371555454816386E+01 + GAMMAs 0.113119967139831E+01 0.112058184419737E+01 0.113183649233831E+01 + SON VEL,M/SEC 0.111749199244370E+04 0.118503749870598E+04 0.131689455878898E+04 TRANSPORT PROPERTIES (GASES ONLY) CONDUCTIVITY IN UNITS OF MILLICALORIES/(CM)(K)(SEC) - VISC,MILLIPOISE 0.93576 0.94014 0.94820 + VISC,MILLIPOISE 0.935760499961917E+00 0.940138625915723E+00 0.948195420644172E+00 WITH EQUILIBRIUM REACTIONS - Cp, CAL/(G)(K) 1.6812 3.4395 3.7156 - CONDUCTIVITY 4.4211 9.6216 8.8285 - PRANDTL NUMBER 0.3558 0.3361 0.3991 + Cp, CAL/(G)(K) 0.168119433353216E+01 0.343953850640926E+01 0.371555454813915E+01 + CONDUCTIVITY 0.442107716718222E+01 0.962163997194367E+01 0.882847070317650E+01 + PRANDTL NUMBER 0.355839807944786E+00 0.336080233164928E+00 0.399057993864278E+00 WITH FROZEN REACTIONS - Cp, CAL/(G)(K) 0.4250 0.4282 0.4368 - CONDUCTIVITY 0.6290 0.7265 0.8641 - PRANDTL NUMBER 0.6322 0.5541 0.4793 + Cp, CAL/(G)(K) 0.424965387444058E+00 0.428223902497597E+00 0.436832833059830E+00 + CONDUCTIVITY 0.628979431432464E+00 0.726529017470931E+00 0.864100277156825E+00 + PRANDTL NUMBER 0.632239789647018E+00 0.554127669504223E+00 0.479345861636817E+00 MOLE FRACTIONS - *Ar 0.00710 0.00625 0.00511 - *CO 0.00017 0.00018 0.00017 - *CO2 0.00007 0.00003 0.00001 - *H 0.04073 0.14287 0.31902 - HO2 0.00001 0.00001 0.00000 - *H2 0.06727 0.08272 0.04118 - H2O 0.20733 0.09581 0.01174 - *N 0.00001 0.00003 0.00009 - *NO 0.01230 0.01371 0.00967 - *N2 0.58569 0.51450 0.42155 - *O 0.01539 0.05786 0.14265 - *OH 0.04517 0.05953 0.03273 - *O2 0.01876 0.02650 0.01609 + *Ar 0.709837463481551E-02 0.625299211937667E-02 0.511434677448226E-02 + *CO 0.170705772533581E-03 0.184174931660265E-03 0.167747322752588E-03 + *CO2 0.710881455558636E-04 0.288207422405520E-04 0.646267415723140E-05 + *H 0.407311351817471E-01 0.142874416952341E+00 0.319015480516248E+00 + HO2 0.102584442867828E-04 0.508113569805753E-05 0.687673227714959E-06 + *H2 0.672664872701465E-01 0.827190198739082E-01 0.411805129700326E-01 + H2O 0.207330847746831E+00 0.958067748077456E-01 0.117426092930114E-01 + *N 0.105722398433616E-04 0.313434777285513E-04 0.897830071288903E-04 + *NO 0.123021499655014E-01 0.137052467204353E-01 0.966531119064023E-02 + *N2 0.585694265474062E+00 0.514496043013081E+00 0.421548712806151E+00 + *O 0.153886484094796E-01 0.578595999439189E-01 0.142654556000940E+00 + *OH 0.451658088540598E-01 0.595337741233333E-01 0.327267380685577E-01 + *O2 0.187567252486008E-01 0.265007174818317E-01 0.160860668918758E-01 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K diff --git a/test/main_interface/reference_output/example3.out b/test/main_interface/reference_output/example3.out index 93a0fac..6b00d84 100644 --- a/test/main_interface/reference_output/example3.out +++ b/test/main_interface/reference_output/example3.out @@ -26,11 +26,11 @@ ! (h) Mole fractions > 1.e-15 are to be in e-format (trace=1.e-15). ! reac - oxid Air wtfrac= 1 t(k)=700.0 - fuel C7H8(L) wtfrac= .4 t(k)= 298.15 - fuel C8H18(L),n-octa wtfrac= .6 t(k)= 298.15 + oxid Air wtfrac= 1 t,k=700 + fuel C7H8(L) wtfrac= .4 t,k=298.15 + fuel C8H18(L),n-octa wtfrac= .6 t,k=298.15 prob case=Example-3 hp p(bar)=100,10,1, o/f = 17 - output siunits trace=1.e-15 + output siunits trace=1.e-15 long omit CCN CNC C2N2 C2O C3H4,allene C3H4,propyne C3H4,cyclo- C3 @@ -140,71 +140,71 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) KJ/KG-MOL K - OXIDANT Air 1.0000000 11897.374 700.000 - FUEL C7H8(L) 0.4000000 12179.997 298.150 - FUEL C8H18(L),n-octa 0.6000000 -250260.000 298.150 + OXIDANT Air 0.100000000000000E+01 0.118973735244131E+05 0.700000000000000E+03 + FUEL C7H8(L) 0.400000000000000E+00 0.121799972709136E+05 0.298150000000000E+03 + FUEL C8H18(L),n-octa 0.600000000000000E+00 -0.250259999717915E+06 0.298150000000000E+03 - O/F= 17.00000 %FUEL= 5.555556 R,EQ.RATIO= 0.852071 PHI,EQ.RATIO= 0.851846 + O/F= 0.170000000000000E+02 %FUEL= 0.555555555555556E+01 R,EQ.RATIO= 0.852071370536945E+00 PHI,EQ.RATIO= 0.851846097795444E+00 THERMODYNAMIC PROPERTIES - P, BAR 100.00 10.000 1.0000 - T, K 2418.66 2390.59 2338.84 - RHO, KG/CU M 1.4431 1 1.4570 0 1.4834-1 - H, KJ/KG 317.84 317.84 317.84 - U, KJ/KG -375.11 -368.52 -356.30 - G, KJ/KG -19438.0 -20787.3 -21879.3 - S, KJ/(KG)(K) 8.1681 8.8284 9.4907 - - M, (1/n) 29.021 28.959 28.846 - (dLV/dLP)t -1.00068 -1.00159 -1.00324 - (dLV/dLT)p 1.0189 1.0447 1.0920 - Cp, KJ/(KG)(K) 1.6094 1.8167 2.2066 - GAMMAs 1.2257 1.2061 1.1800 - SON VEL,M/SEC 921.6 909.9 891.9 + P, BAR 0.100000000000000E+03 0.100000000000000E+02 0.100000000000000E+01 + T, K 0.241866015553148E+04 0.239059336869590E+04 0.233883992260331E+04 + RHO, KG/CU M 0.144310581863386E+02 0.145696074671155E+01 0.148337859993069E+00 + H, KJ/KG 0.317837596115654E+03 0.317837660084737E+03 0.317837613435741E+03 + U, KJ/KG -0.375112281216742E+03 -0.368522629481787E+03 -0.356299117434399E+03 + G, KJ/KG -0.194379984240738E+05 -0.207872772183110E+05 -0.218793414237951E+05 + S, KJ/(KG)(K) 0.816809090562302E+01 0.882840015987699E+01 0.949067904250739E+01 + + M, (1/n) 0.290208205637961E+02 0.289594441463229E+02 0.288462370234362E+02 + (dLV/dLP)t -0.100068090083452E+01 -0.100159186017060E+01 -0.100324100528250E+01 + (dLV/dLT)p 0.101893028268349E+01 0.104474162951202E+01 0.109204837508710E+01 + Cp, KJ/(KG)(K) 0.160940975275309E+01 0.181667582440406E+01 0.220662435968061E+01 + GAMMAs 0.122569933698861E+01 0.120613763977563E+01 0.117999087051750E+01 + SON VEL,M/SEC 0.921600892584559E+03 0.909859868162941E+03 0.891894157345632E+03 MOLE FRACTIONS - *Ar 8.8617-3 8.8430-3 8.8084-3 - *CN 5.851-14 1.066-13 1.178-13 - *CO 1.6773-3 4.3120-3 9.1860-3 - *CO2 1.1537-1 1.1249-1 1.0716-1 - COOH 5.1570-8 2.3271-8 8.6129-9 - *H 2.7554-5 1.2385-4 4.5515-4 - HCN 1.055-11 1.178-11 8.635-12 - HCO 7.381-10 8.917-10 7.600-10 - HNC 1.016-12 1.093-12 7.483-13 - HNCO 1.232 -9 5.143-10 1.642-10 - HNO 4.2203-7 2.0790-7 9.0989-8 - HNO2 1.8498-6 3.2650-7 5.7312-8 - HNO3 1.130 -9 6.623-11 4.036-12 - HO2 7.9912-6 4.2569-6 2.1612-6 - *H2 2.5064-4 6.6103-4 1.4836-3 - HCHO,formaldehy 1.712-11 1.161-11 5.553-12 - HCOOH 6.460 -9 1.641 -9 3.428-10 - H2O 1.0277-1 1.0136-1 9.9015-2 - H2O2 9.8795-7 2.9479-7 8.3673-8 - *N 1.1495-8 2.7422-8 5.0672-8 - NCO 8.312-11 5.822-11 2.954-11 - *NH 2.9342-9 3.8640-9 3.8817-9 - NH2 1.709 -9 1.278 -9 7.371-10 - NH3 3.891 -9 1.718 -9 6.126-10 - NH2OH 1.021-11 1.448-12 1.681-13 - *NO 6.7762-3 6.5527-3 6.1447-3 - NO2 2.3467-5 7.5641-6 2.4794-6 - NO3 1.925-10 1.949-11 1.995-12 - *N2 7.3547-1 7.3403-1 7.3136-1 - N2H2 5.172-13 1.198-13 2.100-14 - NH2NO2 2.436-15 6.728-17 1.649-18 - N2O 3.6449-6 1.1134-6 3.2962-7 - N2O3 2.438-11 7.706-13 2.434-14 - N2O4 3.097-15 3.282-17 3.663-19 - N3 1.234-12 3.000-13 5.750-14 - N3H 3.853-13 5.234-14 5.580-15 - *O 1.5506-4 4.3112-4 1.0664-3 - *OH 2.3483-3 3.8160-3 5.7214-3 - *O2 2.6252-2 2.7365-2 2.9599-2 - O3 1.2096-8 3.7201-9 1.1154-9 + *Ar 0.886173189810420E-02 0.884299017556326E-02 0.880842148346805E-02 + *CN 0.585143755207164E-13 0.106602632547968E-12 0.117826430166407E-12 + *CO 0.167727904350660E-02 0.431202454913965E-02 0.918599943831118E-02 + *CO2 0.115368981105668E+00 0.112486722050116E+00 0.107156184974958E+00 + COOH 0.515702618395001E-07 0.232712618736995E-07 0.861290501765861E-08 + *H 0.275539924630310E-04 0.123849910062347E-03 0.455147280126350E-03 + HCN 0.105515462010464E-10 0.117771245572110E-10 0.863472376042766E-11 + HCO 0.738052280570774E-09 0.891728931210529E-09 0.760009528307414E-09 + HNC 0.101562846977776E-11 0.109339027690300E-11 0.748270036871479E-12 + HNCO 0.123160021891496E-08 0.514263365917846E-09 0.164219235666701E-09 + HNO 0.422032172651592E-06 0.207898687050947E-06 0.909894985007789E-07 + HNO2 0.184977452282502E-05 0.326503598225890E-06 0.573121931432930E-07 + HNO3 0.112972410742529E-08 0.662311089673152E-10 0.403628351008710E-11 + HO2 0.799124891079180E-05 0.425692683240683E-05 0.216117587921379E-05 + *H2 0.250643622121807E-03 0.661026141584199E-03 0.148359024898659E-02 + HCHO,formaldehy 0.171158634637257E-10 0.116073803791691E-10 0.555349500983335E-11 + HCOOH 0.645983362014536E-08 0.164082034880337E-08 0.342779460705979E-09 + H2O 0.102770389588328E+00 0.101361046327841E+00 0.990150700379846E-01 + H2O2 0.987946433624286E-06 0.294790208157854E-06 0.836733267858824E-07 + *N 0.114947846177870E-07 0.274221812134128E-07 0.506724071871442E-07 + NCO 0.831157487579720E-10 0.582219015921506E-10 0.295353745187283E-10 + *NH 0.293416593722760E-08 0.386395396903520E-08 0.388170886471749E-08 + NH2 0.170875049517285E-08 0.127807590592499E-08 0.737134848811931E-09 + NH3 0.389059439492097E-08 0.171820192023858E-08 0.612630295732295E-09 + NH2OH 0.102123327765807E-10 0.144799050994085E-11 0.168053955766089E-12 + *NO 0.677619717945187E-02 0.655266871202345E-02 0.614465586269123E-02 + NO2 0.234672922767210E-04 0.756414869730470E-05 0.247937887734274E-05 + NO3 0.192456813677716E-09 0.194915301270935E-10 0.199541395707288E-11 + *N2 0.735473623098847E+00 0.734034073713291E+00 0.731359300774301E+00 + N2H2 0.517208959722869E-12 0.119776868121776E-12 0.209967251772685E-13 + NH2NO2 0.243617730993482E-14 0.672823280666134E-16 0.164897858351033E-17 + N2O 0.364490623236197E-05 0.111342749823343E-05 0.329624662661763E-06 + N2O3 0.243760864740013E-10 0.770574010137347E-12 0.243366077041365E-13 + N2O4 0.309657701557289E-14 0.328175303179456E-16 0.366346703368409E-18 + N3 0.123363631107683E-11 0.299969014291908E-12 0.574976502221762E-13 + N3H 0.385290826554232E-12 0.523352980792097E-13 0.557967243947569E-14 + *O 0.155055003935902E-03 0.431120970941572E-03 0.106637267081186E-02 + *OH 0.234831231860549E-02 0.381601406580338E-02 0.572140384995716E-02 + *O2 0.262517763537396E-01 0.273646351963520E-01 0.295985842738821E-01 + O3 0.120958686187709E-07 0.372005370317257E-08 0.111539136371331E-08 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K diff --git a/test/main_interface/reference_output/example4.out b/test/main_interface/reference_output/example4.out index 7257fd6..fb742f3 100644 --- a/test/main_interface/reference_output/example4.out +++ b/test/main_interface/reference_output/example4.out @@ -27,7 +27,7 @@ prob case=Example-4, o/f=17 uv u/r=-45.1343, rho,kg/m**3=14.428 - output trace=1.e-15 + output trace=1.e-15 long reac oxid Air wtfrac= 1 t(k)=700.0 fuel C7H8(L) wtfrac= .4 t(k)= 298.15 @@ -136,71 +136,71 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) KJ/KG-MOL K - OXIDANT Air 1.0000000 6077.217 700.000 - FUEL C7H8(L) 0.4000000 12179.997 298.150 - FUEL C8H18(L),n-octa 0.6000000 -250260.000 298.150 + OXIDANT Air 0.100000000000000E+01 0.607721652441309E+04 0.700000000000000E+03 + FUEL C7H8(L) 0.400000000000000E+00 0.121799972709136E+05 0.298150000000000E+03 + FUEL C8H18(L),n-octa 0.600000000000000E+00 -0.250259999717915E+06 0.298150000000000E+03 - O/F= 17.00000 %FUEL= 5.555556 R,EQ.RATIO= 0.852071 PHI,EQ.RATIO= 0.851846 + O/F= 0.170000000000000E+02 %FUEL= 0.555555555555556E+01 R,EQ.RATIO= 0.852071370536945E+00 PHI,EQ.RATIO= 0.851846097795444E+00 THERMODYNAMIC PROPERTIES - P, BAR 99.974 - T, K 2418.54 - RHO, KG/CU M 1.4428 1 - H, KJ/KG 317.64 - U, KJ/KG -375.27 - G, KJ/KG -19437.2 - S, KJ/(KG)(K) 8.1681 - - M, (1/n) 29.021 - (dLV/dLP)t -1.00068 - (dLV/dLT)p 1.0189 - Cp, KJ/(KG)(K) 1.6093 - GAMMAs 1.2257 - SON VEL,M/SEC 921.6 + P, BAR 0.999736938529012E+02 + T, K 0.241853825744741E+04 + RHO, KG/CU M 0.144280000000000E+02 + H, KJ/KG 0.317644867183316E+03 + U, KJ/KG -0.375269562071613E+03 + G, KJ/KG -0.194371850696187E+05 + S, KJ/(KG)(K) 0.816808660188479E+01 + + M, (1/n) 0.290208425137742E+02 + (dLV/dLP)t -0.100068058471247E+01 + (dLV/dLT)p 0.101892195289210E+01 + Cp, KJ/(KG)(K) 0.160933992413826E+01 + GAMMAs 0.122570710962787E+01 + SON VEL,M/SEC 0.921580241922266E+03 MOLE FRACTIONS - *Ar 8.8617-3 - *CN 5.840-14 - *CO 1.6763-3 - *CO2 1.1537-1 - COOH 5.1528-8 - *H 2.7535-5 - HCN 1.053-11 - HCO 7.371-10 - HNC 1.014-12 - HNCO 1.2303-9 - HNO 4.2176-7 - HNO2 1.8492-6 - HNO3 1.1294-9 - HO2 7.9882-6 - *H2 2.5052-4 - HCHO,formaldehy 1.709-11 - HCOOH 6.4546-9 - H2O 1.0277-1 - H2O2 9.8756-7 - *N 1.1482-8 - NCO 8.301-11 - *NH 2.9308-9 - NH2 1.7069-9 - NH3 3.8872-9 - NH2OH 1.020-11 - *NO 6.7747-3 - NO2 2.3462-5 - NO3 1.924-10 - *N2 7.3547-1 - N2H2 5.165-13 - NH2NO2 2.434-15 - N2O 3.6436-6 - N2O3 2.436-11 - N2O4 3.095-15 - N3 1.232-12 - N3H 3.848-13 - *O 1.5498-4 - *OH 2.3475-3 - *O2 2.6252-2 - O3 1.2090-8 + *Ar 0.886173876405481E-02 + *CN 0.584002228846964E-13 + *CO 0.167634099292746E-02 + *CO2 0.115370009884445E+00 + COOH 0.515279718654469E-07 + *H 0.275349373707352E-04 + HCN 0.105349083703323E-10 + HCO 0.737076540027635E-09 + HNC 0.101386986552657E-11 + HNCO 0.123028523759346E-08 + HNO 0.421763475939780E-06 + HNO2 0.184919738332433E-05 + HNO3 0.112937038255538E-08 + HO2 0.798816462421679E-05 + *H2 0.250517726461165E-03 + HCHO,formaldehy 0.170932139114563E-10 + HCOOH 0.645460618735126E-08 + H2O 0.102770993965970E+00 + H2O2 0.987555298590478E-06 + *N 0.114824535203645E-07 + NCO 0.830056622348796E-10 + *NH 0.293080533189510E-08 + NH2 0.170687814245351E-08 + NH3 0.388717159909600E-08 + NH2OH 0.102018488845988E-10 + *NO 0.677471282966597E-02 + NO2 0.234624840457572E-04 + NO3 0.192371323488246E-09 + *N2 0.735474941856392E+00 + N2H2 0.516529833226318E-12 + NH2NO2 0.243378771809628E-14 + N2O 0.364362970447018E-05 + N2O3 0.243608123920149E-10 + N2O4 0.309475698645321E-14 + N3 0.123210209270390E-11 + N3H 0.384803324311647E-12 + *O 0.154977321493019E-03 + *OH 0.234754065335294E-02 + *O2 0.262522447560220E-01 + O3 0.120899147473327E-07 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K diff --git a/test/main_interface/reference_output/example5.out b/test/main_interface/reference_output/example5.out index 13fbd39..8da9190 100644 --- a/test/main_interface/reference_output/example5.out +++ b/test/main_interface/reference_output/example5.out @@ -35,7 +35,7 @@ prob case=5, hp p,psia=500,250,125,50,5, - outp calories + outp calories long omit COOH C2 C2H CHCO,ketyl C2H2,vinylidene CH2CO,ketene C2H3,vinyl CH3CO,acetyl C2H4O,ethylen-o CH3CHO,ethanal CH3COOH (HCOOH)2 @@ -208,74 +208,74 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) CAL/MOL K - NAME NH4CLO4(I) 0.7206000 -70690.010 298.150 - NAME CHOS-Binder 0.1858000 -2999.082 298.150 - NAME AL(cr) 0.0900000 0.000 298.150 - NAME MgO(cr) 0.0020000 -143785.851 298.150 - NAME H2O(L) 0.0016000 -68315.031 298.150 + NAME NH4CLO4(I) 0.720600000000000E+00 -0.706900096266365E+05 0.298150000000000E+03 + NAME CHOS-Binder 0.185800000000000E+00 -0.299908200000000E+04 0.298150000000000E+03 + NAME AL(cr) 0.900000000000000E-01 0.986213577259318E-05 0.298150000000000E+03 + NAME MgO(cr) 0.200000000000000E-02 -0.143785850802790E+06 0.298150000000000E+03 + NAME H2O(L) 0.160000000000000E-02 -0.683150305630772E+05 0.298150000000000E+03 - O/F= 0.00000 %FUEL= 0.000000 R,EQ.RATIO= 1.947941 PHI,EQ.RATIO= 0.000000 + O/F= 0.000000000000000E+00 %FUEL= 0.000000000000000E+00 R,EQ.RATIO= 0.194794088037929E+01 PHI,EQ.RATIO= 0.000000000000000E+00 THERMODYNAMIC PROPERTIES - P, ATM 34.023 17.011 8.5057 3.4023 0.34023 - T, K 2722.99 2706.53 2686.16 2653.00 2540.82 - RHO, G/CC 3.5234-3 1.7692-3 8.8938-4 3.5896-4 3.7058-5 - H, CAL/G -484.77 -484.77 -484.77 -484.77 -484.77 - U, CAL/G -718.61 -717.62 -716.37 -714.30 -707.10 - G, CAL/G -7367.28 -7486.94 -7594.57 -7716.75 -7919.88 - S, CAL/(G)(K) 2.5276 2.5871 2.6468 2.7260 2.9263 - - M, (1/n) 23.140 23.098 23.048 22.968 22.709 - MW, MOL WT 22.290 22.250 22.204 22.131 21.892 - (dLV/dLP)t -1.00277 -1.00354 -1.00449 -1.00600 -1.01100 - (dLV/dLT)p 1.0520 1.0694 1.0905 1.1246 1.2428 - Cp, CAL/(G)(K) 0.5781 0.6095 0.6488 0.7146 0.9585 - GAMMAs 1.1928 1.1875 1.1814 1.1725 1.1494 - SON VEL,M/SEC 1080.3 1075.6 1070.0 1061.2 1034.0 + P, ATM 0.340228494735236E+02 0.170114247367618E+02 0.850571236838091E+01 0.340228494735236E+01 0.340228494735236E+00 + T, K 0.272299253900697E+04 0.270653499113089E+04 0.268615570604152E+04 0.265299614596687E+04 0.254082262395082E+04 + RHO, G/CC 0.352338533228505E-02 0.176919848282014E-02 0.889379376860562E-03 0.358959184008484E-03 0.370580296296914E-04 + H, CAL/G -0.484765182144824E+03 -0.484765181890934E+03 -0.484765181786611E+03 -0.484765178958406E+03 -0.484765181803041E+03 + U, CAL/G -0.718614161217855E+03 -0.717622057712570E+03 -0.716370524869839E+03 -0.714301042516720E+03 -0.707102977705606E+03 + G, CAL/G -0.736728378277170E+04 -0.748693985427947E+04 -0.759457351192332E+04 -0.771675373769877E+04 -0.791988412834614E+04 + S, CAL/(G)(K) 0.252755690734901E+01 0.258713620748822E+01 0.264683402907204E+01 0.272597024678477E+01 0.292626446114603E+01 + + M, (1/n) 0.231396058594349E+02 0.230977440189518E+02 0.230477000522360E+02 0.229684163582853E+02 0.227094196553465E+02 + MW, MOL WT 0.222898347857532E+02 0.222503549058984E+02 0.222038725128584E+02 0.221307928875842E+02 0.218919329717975E+02 + (dLV/dLP)t -0.100277366874525E+01 -0.100354344001593E+01 -0.100448838739009E+01 -0.100599973717995E+01 -0.101100262622042E+01 + (dLV/dLT)p 0.105201040226992E+01 0.106941249629648E+01 0.109052728051707E+01 0.112462170727900E+01 0.124275338446578E+01 + Cp, CAL/(G)(K) 0.578086677542343E+00 0.609487943341782E+00 0.648823650842089E+00 0.714568043266474E+00 0.958535603282327E+00 + GAMMAs 0.119280403821588E+01 0.118749715157984E+01 0.118140529842362E+01 0.117252313991191E+01 0.114941388083965E+01 + SON VEL,M/SEC 0.108030933139215E+04 0.107561452778422E+04 0.106996502618915E+04 0.106116232987989E+04 0.103404801376455E+04 MOLE FRACTIONS - ALCL 0.00018 0.00023 0.00029 0.00036 0.00051 - ALCL2 0.00003 0.00002 0.00002 0.00002 0.00001 - ALCL3 0.00005 0.00004 0.00003 0.00002 0.00000 - *ALO 0.00000 0.00000 0.00000 0.00000 0.00001 - ALOCL 0.00001 0.00002 0.00002 0.00003 0.00004 - ALOH 0.00016 0.00020 0.00025 0.00031 0.00041 - ALOHCL 0.00004 0.00003 0.00003 0.00002 0.00001 - ALOHCL2 0.00029 0.00020 0.00013 0.00008 0.00002 - AL(OH)2 0.00001 0.00001 0.00001 0.00001 0.00000 - AL(OH)2CL 0.00009 0.00006 0.00004 0.00002 0.00001 - AL(OH)3 0.00003 0.00002 0.00001 0.00001 0.00000 - *CO 0.26456 0.26404 0.26341 0.26240 0.25896 - COS 0.00005 0.00004 0.00003 0.00002 0.00001 - *CO2 0.01778 0.01782 0.01787 0.01796 0.01840 - *CL 0.00166 0.00221 0.00289 0.00400 0.00787 - *H 0.00588 0.00781 0.01021 0.01416 0.02805 - HCN 0.00001 0.00000 0.00000 0.00000 0.00000 - HCO 0.00001 0.00000 0.00000 0.00000 0.00000 - HCL 0.13187 0.13136 0.13063 0.12935 0.12473 - *H2 0.32150 0.32068 0.31967 0.31796 0.31159 - H2O 0.14650 0.14582 0.14502 0.14374 0.13962 - H2S 0.00140 0.00116 0.00091 0.00062 0.00018 - *Mg 0.00003 0.00005 0.00009 0.00016 0.00047 - MgCL 0.00006 0.00008 0.00010 0.00012 0.00014 - MgCL2 0.00099 0.00095 0.00089 0.00079 0.00045 - *MgO 0.00000 0.00000 0.00000 0.00000 0.00001 - MgOH 0.00001 0.00001 0.00001 0.00001 0.00001 - Mg(OH)2 0.00001 0.00001 0.00001 0.00001 0.00000 - NH3 0.00001 0.00001 0.00000 0.00000 0.00000 - *NO 0.00003 0.00003 0.00004 0.00005 0.00008 - *N2 0.06833 0.06821 0.06807 0.06784 0.06709 - *O 0.00001 0.00001 0.00002 0.00004 0.00016 - *OH 0.00077 0.00100 0.00128 0.00171 0.00300 - *O2 0.00000 0.00000 0.00000 0.00001 0.00003 - *S 0.00009 0.00013 0.00019 0.00027 0.00044 - SH 0.00058 0.00065 0.00069 0.00068 0.00046 - SO 0.00015 0.00023 0.00034 0.00049 0.00083 - SO2 0.00006 0.00009 0.00013 0.00020 0.00037 - S2 0.00002 0.00003 0.00004 0.00004 0.00003 - AL2O3(L) 0.03672 0.03669 0.03661 0.03647 0.03600 + ALCL 0.183946861912558E-03 0.233773308192036E-03 0.288727740893964E-03 0.363962213338603E-03 0.506381510490647E-03 + ALCL2 0.262245648646328E-04 0.240968246323395E-04 0.216229722034386E-04 0.180221778987829E-04 0.929181735891991E-05 + ALCL3 0.543380912807897E-04 0.375076973063466E-04 0.256572296240487E-04 0.153146704894847E-04 0.389632567330066E-05 + *ALO 0.721516579525345E-06 0.120227586656874E-05 0.191174140786269E-05 0.326421407475964E-05 0.830205245266770E-05 + ALOCL 0.137615340427008E-04 0.173943462787189E-04 0.213421045049144E-04 0.266243749497414E-04 0.358429151394117E-04 + ALOH 0.158839948830817E-03 0.200644421127760E-03 0.246185752584077E-03 0.307278883582658E-03 0.414255513771344E-03 + ALOHCL 0.374226322219195E-04 0.340966207857601E-04 0.303045992656204E-04 0.248858897868510E-04 0.122170640397596E-04 + ALOHCL2 0.285467805782848E-03 0.195777555311757E-03 0.132977826255391E-03 0.785294441550407E-04 0.193088437008033E-04 + AL(OH)2 0.106745202668284E-04 0.964300069846538E-05 0.848797544917043E-05 0.686637393325754E-05 0.320799697904498E-05 + AL(OH)2CL 0.934950763937829E-04 0.635827264763325E-04 0.427781748606376E-04 0.248927357823831E-04 0.583042152662901E-05 + AL(OH)3 0.317450185873933E-04 0.215242904740232E-04 0.144423945987781E-04 0.837532399368045E-05 0.194588320510802E-05 + *CO 0.264555768573497E+00 0.264035242385661E+00 0.263408807184998E+00 0.262401320391964E+00 0.258958758241470E+00 + COS 0.512493928651752E-04 0.423997358050390E-04 0.334283731866307E-04 0.227386698831355E-04 0.669679470861843E-05 + *CO2 0.177830268986196E-01 0.178178314285319E-01 0.178675701555535E-01 0.179622113744093E-01 0.183966003636574E-01 + *CL 0.166423036533744E-02 0.221035183691710E-02 0.288677507193225E-02 0.399737565315439E-02 0.786536668993577E-02 + *H 0.588002909258607E-02 0.780954251403807E-02 0.102077984462308E-01 0.141617257384870E-01 0.280517470913010E-01 + HCN 0.583908734755403E-05 0.291300190313475E-05 0.145235132679492E-05 0.578046923996855E-06 0.566513413641856E-07 + HCO 0.580911156568339E-05 0.393013759482830E-05 0.262939083840984E-05 0.151709955890099E-05 0.345547128457169E-06 + HCL 0.131867388139258E+00 0.131364496944268E+00 0.130633496033086E+00 0.129346838051696E+00 0.124733524374912E+00 + *H2 0.321503217706658E+00 0.320684228851434E+00 0.319670770428394E+00 0.317962186019726E+00 0.311591194424284E+00 + H2O 0.146498588921628E+00 0.145823945866461E+00 0.145016139388303E+00 0.143736517587808E+00 0.139617076654054E+00 + H2S 0.139691646269053E-02 0.115642254593980E-02 0.912374381452659E-03 0.621168665864174E-03 0.183132597663104E-03 + *Mg 0.288355684473954E-04 0.505342564128865E-04 0.851449017414475E-04 0.157560775704357E-03 0.470054102657085E-03 + MgCL 0.645084313162805E-04 0.821217104103976E-04 0.101121924411659E-03 0.124936926109148E-03 0.143001651508472E-03 + MgCL2 0.990927580504410E-03 0.948210609800472E-03 0.890725086076275E-03 0.789062401419502E-03 0.447459817438868E-03 + *MgO 0.936055568656826E-06 0.156910236382984E-05 0.250082918563197E-05 0.422205932813535E-05 0.911045254435906E-05 + MgOH 0.681170150717406E-05 0.846960266529405E-05 0.101356959011158E-04 0.119554493301035E-04 0.116383619498999E-04 + Mg(OH)2 0.132351718585105E-04 0.120577693516302E-04 0.106720176673797E-04 0.858230450627383E-05 0.347215094413679E-05 + NH3 0.144778588185702E-04 0.730786246351845E-05 0.369800288658416E-05 0.150887376544720E-05 0.161918968408312E-06 + *NO 0.258222817406774E-04 0.332070927639775E-04 0.416908708797165E-04 0.541274926461636E-04 0.849366654760847E-04 + *N2 0.683316168355707E-01 0.682120630646078E-01 0.680678882768429E-01 0.678391724761141E-01 0.670924176531425E-01 + *O 0.810483980680262E-05 0.141126790931338E-04 0.237258102022968E-04 0.444825582616352E-04 0.159566293583142E-03 + *OH 0.766103377929128E-03 0.100001721915691E-02 0.127921906446983E-02 0.171298690472368E-02 0.299904102908490E-02 + *O2 0.148824822798396E-05 0.258922430498813E-05 0.434912230034169E-05 0.814583525718855E-05 0.292201143143204E-04 + *S 0.854590121438365E-04 0.130587880107294E-03 0.186322100190321E-03 0.268357879274075E-03 0.435859106265863E-03 + SH 0.579059910884280E-03 0.649275065828913E-03 0.686198364327908E-03 0.675114388830440E-03 0.456322184692945E-03 + SO 0.151875004910525E-03 0.233264979310796E-03 0.335028262689312E-03 0.488081363763048E-03 0.828749940786617E-03 + SO2 0.587344533271008E-04 0.912407017678850E-04 0.132952911194189E-03 0.198483624333857E-03 0.369136155710633E-03 + S2 0.247079111037715E-04 0.324387727077906E-04 0.382576181491917E-04 0.405346947050322E-04 0.256212176329692E-04 + AL2O3(L) 0.367236624013245E-01 0.366870941374745E-01 0.366122230010732E-01 0.364684881637764E-01 0.359976910133332E-01 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K diff --git a/test/main_interface/reference_output/example6.out b/test/main_interface/reference_output/example6.out index d7cf514..8e5b263 100644 --- a/test/main_interface/reference_output/example6.out +++ b/test/main_interface/reference_output/example6.out @@ -23,7 +23,7 @@ prob detonation case=6 t=298.15,500, r,e=1, pbar=1,20 - output calories transport + output calories transport long end OPTIONS: TP=F HP=F SP=F TV=F UV=F SV=F DETN=T SHOCK=F REFL=F INCD=F @@ -108,73 +108,73 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) CAL/MOL K - OXIDANT O2 1.0000000 0.000 0.000 - FUEL H2 1.0000000 0.000 0.000 + OXIDANT O2 0.100000000000000E+01 0.000000000000000E+00 0.000000000000000E+00 + FUEL H2 0.100000000000000E+01 0.000000000000000E+00 0.000000000000000E+00 - O/F= 7.93668 %FUEL= 11.189834 R,EQ.RATIO= 1.000000 PHI,EQ.RATIO= 1.000000 + O/F= 0.793668273905193E+01 %FUEL= 0.111898344072365E+02 R,EQ.RATIO= 0.100000000000000E+01 PHI,EQ.RATIO= 0.100000000000000E+01 UNBURNED GAS - P1, ATM 0.9869 19.7385 0.9869 19.7385 - T1, K 298.15 298.15 500.00 500.00 - H1, CAL/G 0.00 0.00 118.41 118.41 - M1, (1/n) 12.010 12.010 12.010 12.010 - GAMMA1 1.4016 1.4016 1.3858 1.3858 - SON VEL1,M/SEC 537.9 537.9 692.6 692.6 + P1, ATM 0.986923266716013E+00 0.197384653343203E+02 0.986923266716013E+00 0.197384653343203E+02 + T1, K 0.298150000000000E+03 0.298150000000000E+03 0.500000000000000E+03 0.500000000000000E+03 + H1, CAL/G 0.000000000000000E+00 0.000000000000000E+00 0.118410400454188E+03 0.118410400454188E+03 + M1, (1/n) 0.120101866666667E+02 0.120101866666667E+02 0.120101866666667E+02 0.120101866666667E+02 + GAMMA1 0.140161853521029E+01 0.140161853521029E+01 0.138579346823707E+01 0.138579346823707E+01 + SON VEL1,M/SEC 0.537868083068105E+03 0.537868083068105E+03 0.692592379019447E+03 0.692592379019447E+03 BURNED GAS - P, ATM 18.523 409.03 10.813 240.20 - T, K 3674.28 4283.37 3600.03 4209.49 - RHO, G/CC 8.9081-4 1.7752-2 5.2191-4 1.0420-2 - H, CAL/G 676.65 752.01 758.26 836.60 - U, CAL/G 173.08 194.01 256.51 278.37 - G, CAL/G -14625.8 -15395.6 -14583.5 -15410.9 - S, CAL/(G)(K) 4.1647 3.7698 4.2616 3.8597 - - M, (1/n) 14.500 15.255 14.258 14.985 - (dLV/dLP)t -1.08194 -1.06043 -1.08877 -1.06728 - (dLV/dLT)p 2.3581 1.8727 2.4959 1.9844 - Cp, CAL/(G)(K) 3.8874 2.4544 4.3162 2.7219 - GAMMAs 1.1288 1.1438 1.1266 1.1423 - SON VEL,M/SEC 1542.2 1634.1 1537.9 1633.4 + P, ATM 0.185230167220045E+02 0.409026494994432E+03 0.108133428175116E+02 0.240197268258635E+03 + T, K 0.367427663458931E+04 0.428337370512949E+04 0.360002740941941E+04 0.420948885719291E+04 + RHO, G/CC 0.890807794556952E-03 0.177520611288724E-01 0.521911852336562E-03 0.104203476825248E-01 + H, CAL/G 0.676646125169634E+03 0.752006247757605E+03 0.758258585260260E+03 0.836595525444212E+03 + U, CAL/G 0.173084476341837E+03 0.194014735913104E+03 0.256508160603805E+03 0.278368586710371E+03 + G, CAL/G -0.146257921224261E+05 -0.153956107584553E+05 -0.145835348575629E+05 -0.154108506509003E+05 + S, CAL/(G)(K) 0.416474853949207E+01 0.376983614268248E+01 0.426157684318780E+01 0.385971948793305E+01 + + M, (1/n) 0.144998726613609E+02 0.152546889956332E+02 0.142581455167678E+02 0.149852349891690E+02 + (dLV/dLP)t -0.108194433605272E+01 -0.106043127683686E+01 -0.108876703594109E+01 -0.106727553464369E+01 + (dLV/dLT)p 0.235807848048279E+01 0.187272034743411E+01 0.249586448690225E+01 0.198442407124074E+01 + Cp, CAL/(G)(K) 0.388737775367838E+01 0.245435656884353E+01 0.431624489180991E+01 0.272189500762998E+01 + GAMMAs 0.112878767313445E+01 0.114378924576407E+01 0.112661071987961E+01 0.114231154279279E+01 + SON VEL,M/SEC 0.154215593793318E+04 0.163411508314102E+04 0.153789488307846E+04 0.163340362812353E+04 TRANSPORT PROPERTIES (GASES ONLY) CONDUCTIVITY IN UNITS OF MILLICALORIES/(CM)(K)(SEC) - VISC,MILLIPOISE 1.1412 1.2740 1.1244 1.2589 + VISC,MILLIPOISE 0.114116114329075E+01 0.127401510567970E+01 0.112443029759756E+01 0.125886666190738E+01 WITH EQUILIBRIUM REACTIONS - Cp, CAL/(G)(K) 3.8874 2.4544 4.3162 2.7219 - CONDUCTIVITY 9.1031 5.9556 10.0641 6.6597 - PRANDTL NUMBER 0.4873 0.5250 0.4822 0.5145 + Cp, CAL/(G)(K) 0.388737775367712E+01 0.245435656884267E+01 0.431624489179174E+01 0.272189500762996E+01 + CONDUCTIVITY 0.910307102573653E+01 0.595555168542785E+01 0.100640853534270E+02 0.665967210962926E+01 + PRANDTL NUMBER 0.487321743315771E+00 0.525037395121710E+00 0.482241193088520E+00 0.514515253290488E+00 WITH FROZEN REACTIONS - Cp, CAL/(G)(K) 0.7784 0.7936 0.7765 0.7920 - CONDUCTIVITY 1.2903 1.4211 1.2823 1.4170 - PRANDTL NUMBER 0.6884 0.7115 0.6809 0.7036 + Cp, CAL/(G)(K) 0.778387488890445E+00 0.793610678576774E+00 0.776529684711494E+00 0.791950400261430E+00 + CONDUCTIVITY 0.129034282494698E+01 0.142106186120412E+01 0.128230153636400E+01 0.141702553573287E+01 + PRANDTL NUMBER 0.688395006018603E+00 0.711490484783542E+00 0.680926817688559E+00 0.703558215171967E+00 DETONATION PARAMETERS - P/P1 18.768 20.722 10.957 12.169 - T/T1 12.324 14.367 7.200 8.419 - M/M1 1.2073 1.2701 1.1872 1.2477 - RHO/RHO1 1.8387 1.8321 1.8066 1.8035 - DET MACH NUMBER 5.2718 5.5661 4.0115 4.2533 - DET VEL,M/SEC 2835.5 2993.8 2778.3 2945.8 + P/P1 0.187684466935711E+02 0.207223048026554E+02 0.109566196098436E+02 0.121689941031531E+02 + T/T1 0.123235842179752E+02 0.143665058028828E+02 0.720005481883882E+01 0.841897771438583E+01 + M/M1 0.120729786004111E+01 0.127014587025291E+01 0.118717101677863E+01 0.124771041492297E+01 + RHO/RHO1 0.183867819042396E+01 0.183206342783319E+01 0.180656697344041E+01 0.180347082469358E+01 + DET MACH NUMBER 0.527179469808326E+01 0.556605850582372E+01 0.401146710257963E+01 0.425329046102305E+01 + DET VEL,M/SEC 0.283552848931054E+04 0.299380248069326E+04 0.277831010439254E+04 0.294579578826943E+04 MOLE FRACTIONS - *H 0.08008 0.04717 0.09096 0.05644 - HO2 0.00018 0.00068 0.00015 0.00057 - *H2 0.16211 0.14397 0.16681 0.15214 - H2O 0.53189 0.60992 0.50727 0.57898 - H2O2 0.00002 0.00016 0.00001 0.00012 - *O 0.03744 0.02347 0.04214 0.02792 - *OH 0.14143 0.13758 0.14360 0.14414 - *O2 0.04685 0.03705 0.04905 0.03969 + *H 0.800792798239384E-01 0.471656964105758E-01 0.909626796027216E-01 0.564403575652226E-01 + HO2 0.184019005619319E-03 0.677098069120228E-03 0.148287064884872E-03 0.568428082263616E-03 + *H2 0.162111245705373E+00 0.143965613291124E+00 0.166805684515892E+00 0.152135305380496E+00 + H2O 0.531886836147964E+00 0.609921202821039E+00 0.507272984913663E+00 0.578981648853146E+00 + H2O2 0.200404838025229E-04 0.163393913888115E-03 0.138380934361312E-04 0.116276564867726E-03 + *O 0.374361596410263E-01 0.234695556695958E-01 0.421443956368599E-01 0.279228994215767E-01 + *OH 0.141430936551145E+00 0.137584612472266E+00 0.143598707326931E+00 0.144138639319467E+00 + *O2 0.468512592148743E-01 0.370509234840464E-01 0.490532622106166E-01 0.396949880453552E-01 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K diff --git a/test/main_interface/reference_output/example7.out b/test/main_interface/reference_output/example7.out index c3b1811..109f535 100644 --- a/test/main_interface/reference_output/example7.out +++ b/test/main_interface/reference_output/example7.out @@ -1,103 +1,206 @@ -SHOCK WAVE PARAMETERS ASSUMING -EQUILIBRIUM COMPOSITION FOR INCIDENT SHOCKED CONDITIONS - -INITIAL GAS (1) -Mach1 3.353 3.658 3.810 3.962 4.115 4.267 -u1, m/s 1100.000 1200.000 1250.000 1300.000 1350.000 1400.000 -P, bar 0.013 0.013 0.013 0.013 0.013 0.013 -T, K 300.000 300.000 300.000 300.000 300.000 300.000 -rho1, kg/m^3 0.201E-1 0.201E-1 0.201E-1 0.201E-1 0.201E-1 0.201E-1 -H, kJ/kg 1.06 1.06 1.06 1.06 1.06 1.06 -U, kJ/kg -65.18 -65.18 -65.18 -65.18 -65.18 -65.18 -G, kJ/kg -1556.3 -1556.3 -1556.3 -1556.3 -1556.3 -1556.3 -S, kJ/(kg-K) 5.19 5.19 5.19 5.19 5.19 5.19 - -M, (1/n) 37.654 37.654 37.654 37.654 37.654 37.654 -Cp, kJ/(kg-K) 0.574 0.574 0.574 0.574 0.574 0.574 -Gamma_s 1.625 1.625 1.625 1.625 1.625 1.625 -Son. Vel., m/s 328.087 328.087 328.087 328.087 328.087 328.087 - -SHOCKED GAS (2)--INCIDENT--EQUILIBRIUM -u2, m/s 666.379 575.193 558.800 546.820 536.923 527.831 -P, bar 0.109 0.164 0.187 0.210 0.234 0.259 -T, K 1528.516 1816.425 1930.785 2040.819 2147.137 2249.058 -rho, kg/m^3 0.332E-1 0.420E-1 0.450E-1 0.478E-1 0.506E-1 0.534E-1 -H, kJ/kg 384.03 555.64 626.18 696.56 768.17 841.76 -U, kJ/kg 54.94 164.50 210.33 256.84 305.26 356.43 -G, kJ/kg -8121.8 -9580.0 -10165.8 -10731.5 -11279.0 -11803.6 -S, kJ/(kg-K) 5.56 5.58 5.59 5.60 5.61 5.62 - -M, (1/n) 38.618 38.612 38.603 38.589 38.566 38.530 -(dln(V)/dln(P))t -1.000 -1.000 -1.000 -1.000 -1.001 -1.001 -(dln(V)/dln(T))p 1.000 1.003 1.005 1.010 1.017 1.028 -Cp, kJ/(kg-K) 0.588 0.610 0.629 0.659 0.703 0.765 -Gamma_s 1.578 1.550 1.529 1.499 1.463 1.422 -Son. Vel., m/s 720.739 778.702 797.278 811.952 822.928 830.819 - -P2/P1 8.20040 12.31846 14.04268 15.78069 17.56982 19.43236 -T2/T1 5.09505 6.05475 6.43595 6.80273 7.15712 7.49686 -M2/M1 1.02562 1.02543 1.02522 1.02484 1.02422 1.02326 -rho2/rho1 1.65071 2.08626 2.23694 2.37738 2.51433 2.65236 -v2, m/s 433.621 624.807 691.200 753.180 813.077 872.169 - - -MOLE FRACTIONS - - Ar 0.923054 0.922890 0.922696 0.922356 0.921797 0.920935 - H 1.217E-7 7.122E-6 2.562E-5 7.642E-5 1.964E-4 4.425E-4 - H2 2.659E-6 4.928E-5 1.231E-4 2.682E-4 5.234E-4 9.260E-4 - H2O 0.051235 0.050930 0.050603 0.050071 0.049259 0.048095 - H2O2 6.68E-10 3.164E-9 5.150E-9 7.792E-9 1.111E-8 1.502E-8 - HO2 2.110E-8 1.221E-7 2.115E-7 3.374E-7 5.041E-7 7.109E-7 - O 2.871E-6 5.590E-5 1.420E-4 3.146E-4 6.252E-4 0.001130 - O2 0.025619 0.025490 0.025366 0.025185 0.024938 0.024629 - OH 8.642E-5 5.773E-4 0.001045 0.001728 0.002660 0.003840 - -PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS -WERE LESS THAN 5.000000E-09 FOR ALL ASSIGNED CONDITIONS - - O3 H2O(L) H2O(cr) - - -SHOCKED GAS (5)--REFLECTED--EQUILIBRIUM -u5, m/s 605.695 591.085 581.283 572.168 564.144 557.505 -P, bar 0.259 0.483 0.583 0.688 0.801 0.925 -T, K 2108.374 2576.807 2712.186 2829.415 2936.791 3039.429 -rho, kg/m^3 0.570E-1 0.864E-1 0.985E-1 0.111E+0 0.124E+0 0.137E+0 -H, kJ/kg 740.71 1120.15 1266.85 1411.25 1557.42 1708.34 -U, kJ/kg 286.30 560.69 675.09 790.47 909.11 1032.84 -G, kJ/kg -11016.0 -13317.3 -13968.5 -14527.8 -15037.2 -15522.9 -S, kJ/(kg-K) 5.58 5.60 5.62 5.63 5.65 5.67 - -M, (1/n) 38.578 38.296 38.108 37.896 37.664 37.412 -(dln(V)/dln(P))t -1.000 -1.004 -1.006 -1.009 -1.011 -1.014 -(dln(V)/dln(T))p 1.013 1.092 1.138 1.184 1.228 1.268 -Cp, kJ/(kg-K) 0.680 1.078 1.277 1.462 1.628 1.769 -Gamma_s 1.481 1.309 1.274 1.253 1.239 1.232 -Son. Vel., m/s 820.447 855.924 868.302 881.787 896.395 912.199 - -P5/P2 2.36933 2.94225 3.11501 3.27014 3.41904 3.56919 -T5/T2 1.37936 1.41861 1.40471 1.38641 1.36777 1.35142 -M5/M2 0.99895 0.99181 0.98717 0.98205 0.97661 0.97098 -rho5/rho2 1.71591 2.05705 2.18909 2.31636 2.44126 2.56441 -u5+v2, m/s 1039.316 1215.892 1272.483 1325.348 1377.221 1429.673 - - -MOLE FRACTIONS - - Ar 0.922089 0.915336 0.910855 0.905797 0.900240 0.894208 - H 1.270E-4 0.002906 0.005495 0.008807 0.012794 0.017443 - H2 3.864E-4 0.003340 0.004959 0.006472 0.007790 0.008855 - H2O 0.049672 0.041575 0.037080 0.032499 0.027955 0.023521 - H2O2 1.054E-8 3.678E-8 4.599E-8 5.285E-8 5.724E-8 5.902E-8 - HO2 4.539E-7 1.846E-6 2.438E-6 2.967E-6 3.420E-6 3.781E-6 - O 4.581E-4 0.004590 0.007465 0.010813 0.014631 0.018952 - O2 0.025057 0.023285 0.022512 0.021717 0.020847 0.019859 - OH 0.002210 0.008966 0.011632 0.013892 0.015740 0.017159 - -PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS -WERE LESS THAN 5.000000E-09 FOR ALL ASSIGNED CONDITIONS - - O3 H2O(L) H2O(cr) + + ******************************************************************************* + + NASA-GLENN CHEMICAL EQUILIBRIUM PROGRAM CEA2, MAY 21, 2004 + BY BONNIE MCBRIDE AND SANFORD GORDON + REFS: NASA RP-1311, PART I, 1994 AND NASA RP-1311, PART II, 1996 + + ******************************************************************************* + + + + ! EXAMPLE 7: + ! (a) Shock tube problem (shock). + ! (b) Reactants are H2, O2, and Ar gases at 300 K. Note that for shock + ! problems reactants must be gaseous species in the thermodynamic + ! data base. The program calculates properties of the + ! reactants at the temperature given (300 K) using the thermo.lib + ! coefficients. + ! (c) Reactants are given in moles (moles = ...). + ! (d) Initial gas pressures are 10 and 20 mm Hg (p,mmhg=10,20,) + ! (e) Seven initial gas velocities are assigned (u1=1000,1100,1200, + ! 1250,1300,1350,1400,). Note units of u1 are always m/s. + ! (f) Equilibrium calculations are to be performed for incident shock + ! conditions (incd eql). + ! (g) Frozen calculations are to be performed for incident shock + ! conditions (incd froz). + ! (h) No 'outp' dataset is given since the default values of the + ! the parameters have the desired values (e.g. SI units). + + reac name= H2 moles= 0.050 t(k) 300.00 + name= O2 moles= 0.050 t(k) 300.00 + name= Ar moles= 0.900 t(k) 300.00 + + problem case=7 p,bar=0.1, shock u1=1400, + incd refl eql + + output long + + end + + OPTIONS: TP=F HP=F SP=F TV=F UV=F SV=F DETN=F SHOCK=T REFL=T INCD=T + RKT=F FROZ=F EQL=T IONS=F SIUNIT=T DEBUGF=F SHKDBG=F DETDBG=F TRNSPT=F + + TRACE= 0.00E+00 S/R= 0.000000E+00 H/R= 0.000000E+00 U/R= 0.000000E+00 + + P,BAR = 0.100000 + + REACTANT MOLES (ENERGY/R),K TEMP,K DENSITY + EXPLODED FORMULA + N: H2 0.050000 0.641759E+01 300.00 0.0000 + H 2.00000 + N: O2 0.050000 0.653777E+01 300.00 0.0000 + O 2.00000 + N: Ar 0.900000 0.462500E+01 300.00 0.0000 + AR 1.00000 + + SPECIES BEING CONSIDERED IN THIS SYSTEM + (CONDENSED PHASE MAY HAVE NAME LISTED SEVERAL TIMES) + LAST thermo.inp UPDATE: 9/09/04 + + g 3/98 *Ar g 6/97 *H g 4/02 HO2 + tpis78 *H2 g 8/89 H2O g 6/99 H2O2 + g 5/97 *O g 4/02 *OH tpis89 *O2 + g 8/01 O3 g11/99 H2O(cr) g 8/01 H2O(L) + g 8/01 H2O(L) + + *** INPUT FOR SHOCK PROBLEMS *** + + INCDEQ = T REFLEQ = T INCDFZ = F REFLFZ = F + + U1 = 1.400000E+03 + + MACH1 = 0.000000E+00 + + O/F = 0.000000 + + EFFECTIVE FUEL EFFECTIVE OXIDANT MIXTURE + ENTHALPY h(2)/R h(1)/R h0/R + (KG-MOL)(K)/KG 0.12774942E+00 0.00000000E+00 0.12774942E+00 + + KG-FORM.WT./KG bi(2) bi(1) b0i + *H 0.26557650E-02 0.00000000E+00 0.26557650E-02 + *O 0.26557650E-02 0.00000000E+00 0.26557650E-02 + *Ar 0.23901885E-01 0.00000000E+00 0.23901885E-01 + + + + + SHOCK WAVE PARAMETERS ASSUMING + + EQUILIBRIUM COMPOSITION FOR INCIDENT SHOCKED CONDITIONS + + + CASE = 7 + + REACTANT MOLES ENERGY TEMP + KJ/KG-MOL K + NAME H2 0.500000000000000E-01 0.533590999122645E+02 0.300000000000000E+03 + NAME O2 0.500000000000000E-01 0.543583825560021E+02 0.300000000000000E+03 + NAME Ar 0.900000000000000E+00 0.384546087500000E+02 0.300000000000000E+03 + + O/F= 0.000000000000000E+00 %FUEL= 0.000000000000000E+00 R,EQ.RATIO= 0.500000000000000E+00 PHI,EQ.RATIO= 0.000000000000000E+00 + + INITIAL GAS (1) + MACH NUMBER1 0.426715654966385E+01 + U1, M/SEC 0.140000000000000E+04 + P, BAR 0.100000000000000E+00 + T, K 0.300000000000000E+03 + RHO, KG/CU M 0.150956717032433E+00 + H, KJ/KG 0.106217379566272E+01 + U, KJ/KG -0.651819801352386E+02 + G, KJ/KG -0.142278379630548E+04 + S, KJ/(KG)(K) 0.474615323367047E+01 + + M, (1/n) 0.376539340000000E+02 + Cp, KJ/(KG)(K) 0.574162546713278E+00 + GAMMAs 0.162491766989173E+01 + SON VEL,M/SEC 0.328087330217656E+03 + + SHOCKED GAS (2)--INCIDENT--EQUILIBRIUM + U2, M/SEC 0.537129571785348E+03 + P, BAR 0.192358522798536E+01 + T, K 0.226818398404650E+04 + RHO, KG/CU M 0.393460749410876E+00 + H, KJ/KG 0.836808100374360E+03 + U, KJ/KG 0.347919378725373E+03 + G, KJ/KG -0.109304355036229E+05 + S, KJ/(KG)(K) 0.518795815805217E+01 + + M, (1/n) 0.385749099582107E+02 + (dLV/dLP)t -0.100043238870357E+01 + (dLV/dLT)p 0.101261186376503E+01 + Cp, KJ/(KG)(K) 0.674022112158360E+00 + GAMMAs 0.148692090850231E+01 + SON VEL,M/SEC 0.852607097173630E+03 + + P2/P1 0.192358522798536E+02 + T2/T1 0.756061328015499E+01 + M2/M1 0.102445895714936E+01 + RHO2/RHO1 0.260644744497419E+01 + V2, M/SEC 0.862870428214652E+03 + + MOLE FRACTIONS + + *Ar 0.922013061434422E+00 + *H 0.116657933001448E-03 + HO2 0.127766340355674E-05 + *H2 0.389121788358003E-03 + H2O 0.495019081036036E-01 + H2O2 0.445949968451753E-07 + *O 0.468702725285454E-03 + *OH 0.254581114461325E-02 + *O2 0.249634146123161E-01 + + * THERMODYNAMIC PROPERTIES FITTED TO 20000.K + + PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS + WERE LESS THAN 5.000000E-09 FOR ALL ASSIGNED CONDITIONS + + O3 H2O(cr) H2O(L) + + SHOCKED GAS (5)--REFLECTED--EQUILIBRIUM + U5, M/SEC 0.353461934123471E+03 + P, BAR 0.688575880096002E+01 + T, K 0.325328812229202E+04 + RHO, KG/CU M 0.960515440429929E+00 + H, KJ/KG 0.172569707921101E+04 + U, KJ/KG 0.100881544346365E+04 + G, KJ/KG -0.152904010352186E+05 + S, KJ/(KG)(K) 0.523043071341659E+01 + + M, (1/n) 0.377321656419317E+02 + (dLV/dLP)t -0.101015380362947E+01 + (dLV/dLT)p 0.118737820096711E+01 + Cp, KJ/(KG)(K) 0.136906486418611E+01 + GAMMAs 0.127676330974167E+01 + SON VEL,M/SEC 0.956706940473320E+03 + + P5/P2 0.357964840901369E+01 + T5/T2 0.143431403500525E+01 + M5/M2 0.978153045147947E+00 + RHO5/RHO2 0.244119760832077E+01 + U5+V2,M/SEC 0.509408494091181E+03 + + MOLE FRACTIONS + + *Ar 0.901869883708218E+00 + *H 0.107052676559523E-01 + HO2 0.994419094318345E-05 + *H2 0.750371707030685E-02 + H2O 0.285366863365448E-01 + H2O2 0.264932134388455E-06 + *O 0.136866131553129E-01 + *OH 0.174112163316822E-01 + *O2 0.202763890699008E-01 + O3 0.175490041885985E-07 + + * THERMODYNAMIC PROPERTIES FITTED TO 20000.K + + PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS + WERE LESS THAN 5.000000E-09 FOR ALL ASSIGNED CONDITIONS + + H2O(cr) H2O(L) + diff --git a/test/main_interface/reference_output/example8.out b/test/main_interface/reference_output/example8.out index a4937d6..2b16880 100644 --- a/test/main_interface/reference_output/example8.out +++ b/test/main_interface/reference_output/example8.out @@ -26,7 +26,7 @@ reactants fuel = H2(L) wt% 100. t(k) 20.27 oxid = O2(L) wt% 100. t(k) 90.17 - output siunits + output siunits long end OPTIONS: TP=F HP=F SP=F TV=F UV=F SV=F DETN=F SHOCK=F REFL=F INCD=F @@ -69,23 +69,37 @@ KG-FORM.WT./KG bi(2) bi(1) b0i *H 0.99212255E+00 0.00000000E+00 0.15143279E+00 *O 0.00000000E+00 0.62502344E-01 0.52962288E-01 + DBG ROCKET POINT Npt= 1 Eql= T Nfz= 1 ipp= 1 Area= F Pp= 53.317200000000000 Tt= 3800.0000000000000 AppNpt= 1.0000000000000000 POINT ITN T H O 1 9 3383.845 -9.262 -16.577 Pinf/Pt = 1.737750 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 30.681748739979327 Tt= 3383.8446259451043 AppNpt= 1.7377497108085609 2 4 3185.977 -9.430 -16.983 Pinf/Pt = 1.739241 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 30.655448621857662 Tt= 3185.9768890106361 AppNpt= 1.7392405721306021 2 2 3185.673 -9.430 -16.983 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 5.3317199999999998 Tt= 3185.6731730807096 AppNpt= 10.000000000000000 3 4 2567.340 -9.921 -18.808 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= F Pp= 0.53317199999999998 Tt= 2567.3401804441942 AppNpt= 100.00000000000000 4 4 1759.893 -10.455 -23.527 + DBG ROCKET POINT Npt= 5 Eql= T Nfz= 1 ipp= 5 Area= F Pp= 5.3317200000000002E-002 Tt= 1759.8928200735381 AppNpt= 1000.0000000000000 5 4 1115.867 -10.959 -32.655 + DBG ROCKET POINT Npt= 6 Eql= T Nfz= 1 ipp= 6 Area= T Pp= 49.217793277148701 Tt= 3383.8446259451043 AppNpt= 1.0832911524449556 6 3 3354.871 -9.287 -16.632 + DBG ROCKET POINT Npt= 6 Eql= T Nfz= 1 ipp= 6 Area= T Pp= 48.473195814909893 Tt= 3354.8712301472851 AppNpt= 1.0999316035110716 6 2 3349.365 -9.291 -16.643 + DBG ROCKET POINT Npt= 6 Eql= T Nfz= 1 ipp= 6 Area= T Pp= 48.383276854441235 Tt= 3349.3652593991123 AppNpt= 1.1019757954882270 6 2 3348.695 -9.292 -16.644 + DBG ROCKET POINT Npt= 6 Eql= T Nfz= 1 ipp= 6 Area= T Pp= 48.382207750249414 Tt= 3348.6949440014096 AppNpt= 1.1020001459053952 6 1 3348.687 -9.292 -16.644 + DBG ROCKET POINT Npt= 7 Eql= T Nfz= 1 ipp= 7 Area= T Pp= 0.18693246141457931 Tt= 3348.6869671134514 AppNpt= 285.22172979765656 7 5 1441.980 -10.683 -26.970 + DBG ROCKET POINT Npt= 7 Eql= T Nfz= 1 ipp= 7 Area= T Pp= 0.20491268129244480 Tt= 1441.9801016753654 AppNpt= 260.19473106160473 7 2 1468.156 -10.663 -26.627 + DBG ROCKET POINT Npt= 8 Eql= T Nfz= 1 ipp= 8 Area= T Pp= 8.9216640052681540E-002 Tt= 1468.1562133402410 AppNpt= 597.61497371473217 8 3 1242.708 -10.845 -30.076 + DBG ROCKET POINT Npt= 8 Eql= T Nfz= 1 ipp= 8 Area= T Pp= 8.1464407615725307E-002 Tt= 1242.7076462330735 AppNpt= 654.48459714458204 8 2 1219.614 -10.865 -30.504 @@ -101,48 +115,48 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) KJ/KG-MOL K - FUEL H2(L) 1.0000000 -9012.000 20.270 - OXIDANT O2(L) 1.0000000 -12979.000 90.170 + FUEL H2(L) 0.100000000000000E+01 -0.901200000000000E+04 0.202700000000000E+02 + OXIDANT O2(L) 0.100000000000000E+01 -0.129790000000000E+05 0.901700000000000E+02 - O/F= 5.55157 %FUEL= 15.263517 R,EQ.RATIO= 1.429629 PHI,EQ.RATIO= 1.429629 + O/F= 0.555157000000000E+01 %FUEL= 0.152635169890576E+02 R,EQ.RATIO= 0.142962850852136E+01 PHI,EQ.RATIO= 0.142962850852136E+01 CHAMBER THROAT EXIT EXIT EXIT EXIT EXIT EXIT - Pinf/P 1.0000 1.7392 10.000 100.00 1000.00 1.1020 260.19 654.48 - P, BAR 53.317 30.655 5.3317 0.53317 0.05332 48.382 0.20491 0.08146 - T, K 3383.84 3185.67 2567.34 1759.89 1115.87 3348.69 1468.16 1219.61 - RHO, KG/CU M 2.4097 0 1.4864 0 3.2778-1 4.8118-2 7.5898-3 2.2137 0 2.2170-2 1.0610-2 - H, KJ/KG -1026.05 -2208.65 -5428.75 -8561.51 -10621.8 -1239.65 -9531.45 -10310.3 - U, KJ/KG -3238.68 -4271.01 -7055.36 -9669.56 -11324.3 -3425.26 -10455.7 -11078.1 - G, KJ/KG -64163.7 -61648.7 -53331.6 -41398.6 -31442.3 -63721.3 -36925.1 -33066.6 - S, KJ/(KG)(K) 18.6586 18.6586 18.6586 18.6586 18.6586 18.6586 18.6586 18.6586 - - M, (1/n) 12.716 12.843 13.123 13.206 13.207 12.739 13.207 13.207 - (dLV/dLP)t -1.02010 -1.01475 -1.00325 -1.00006 -1.00000 -1.01912 -1.00000 -1.00000 - (dLV/dLT)p 1.3658 1.2844 1.0761 1.0018 1.0000 1.3515 1.0001 1.0000 - Cp, KJ/(KG)(K) 8.3253 7.4796 4.8799 3.4348 2.9626 8.1823 3.2234 3.0420 - GAMMAs 1.1447 1.1468 1.1725 1.2253 1.2698 1.1449 1.2428 1.2610 - SON VEL,M/SEC 1591.5 1537.9 1381.0 1165.2 944.5 1581.9 1071.8 984.0 - MACH NUMBER 0.000 1.000 2.149 3.332 4.638 0.413 3.848 4.379 + Pinf/P 0.100000000000000E+01 0.173924057213060E+01 0.100000000000000E+02 0.100000000000000E+03 0.100000000000000E+04 0.110200014590540E+01 0.260194731061605E+03 0.654484597144582E+03 + P, BAR 0.533172000000000E+02 0.306554486218577E+02 0.533172000000000E+01 0.533172000000000E+00 0.533172000000000E-01 0.483822077502494E+02 0.204912681292445E+00 0.814644076157253E-01 + T, K 0.338384462594510E+04 0.318567317308071E+04 0.256734018044419E+04 0.175989282007354E+04 0.111586725368156E+04 0.334868696711345E+04 0.146815621334024E+04 0.121961374117679E+04 + RHO, KG/CU M 0.240967731792388E+01 0.148642660179137E+01 0.327780726091281E+00 0.481178727697445E-01 0.758976246211720E-02 0.221366809130019E+01 0.221700470506309E-01 0.106100853053376E-01 + H, KJ/KG -0.102605493530542E+04 -0.220864887420689E+04 -0.542874565605082E+04 -0.856150823317803E+04 -0.106218086819634E+05 -0.123964615295827E+04 -0.953145383228730E+04 -0.103103194344718E+05 + U, KJ/KG -0.323868314089175E+04 -0.427100759309103E+04 -0.705535746559182E+04 -0.966956220420737E+04 -0.113242970703171E+05 -0.342525870889624E+04 -0.104557309924777E+05 -0.110781210616156E+05 + G, KJ/KG -0.641637491029525E+05 -0.616487475648706E+05 -0.533316363385366E+05 -0.413985876280321E+05 -0.314422934212592E+05 -0.637213487620643E+05 -0.369251459940318E+05 -0.330665650400521E+05 + S, KJ/(KG)(K) 0.186585677378768E+02 0.186585677378769E+02 0.186585677454702E+02 0.186585677379387E+02 0.186585677378767E+02 0.186585677379588E+02 0.186585677415214E+02 0.186585677393427E+02 + + M, (1/n) 0.127156518704015E+02 0.128432125855595E+02 0.131230914951543E+02 0.132057163585962E+02 0.132071783579954E+02 0.127390791196226E+02 0.132070768846707E+02 0.132071752502979E+02 + (dLV/dLP)t -0.102010404727908E+01 -0.101475465800604E+01 -0.100325303070509E+01 -0.100005538124650E+01 -0.100000002171564E+01 -0.101912295244994E+01 -0.100000386319832E+01 -0.100000013936235E+01 + (dLV/dLT)p 0.136578843385499E+01 0.128443777198008E+01 0.107609248723181E+01 0.100177370155481E+01 0.100000104340605E+01 0.135147113753577E+01 0.100014476652623E+01 0.100000618393055E+01 + Cp, KJ/(KG)(K) 0.832530666015866E+01 0.747961103025544E+01 0.487988293774455E+01 0.343477164618634E+01 0.296258946451825E+01 0.818230895980791E+01 0.322342162096525E+01 0.304203026835881E+01 + GAMMAs 0.114469528826310E+01 0.114684079900260E+01 0.117245997825557E+01 0.122534230993677E+01 0.126983895854648E+01 0.114491045472784E+01 0.124278787377770E+01 0.126095669165476E+01 + SON VEL,M/SEC 0.159147261415731E+04 0.153791973815121E+04 0.138099139998940E+04 0.116522333155310E+04 0.944482463287719E+03 0.158187567946341E+04 0.107176510798510E+04 0.983953555616506E+03 + MACH NUMBER 0.000000000000000E+00 0.999998045997713E+00 0.214873626150853E+01 0.333165879084287E+01 0.463831934719079E+01 0.413175293803990E+00 0.384824511628906E+01 0.437939532758921E+01 PERFORMANCE PARAMETERS - Ae/At 1.0000 2.3503 12.238 68.753 1.5800 25.000 50.000 - CSTAR, M/SEC 2332.3 2332.3 2332.3 2332.3 2332.3 2332.3 2332.3 - CF 0.6594 1.2723 1.6645 1.8783 0.2802 1.7684 1.8476 - Ivac, M/SEC 2878.9 3515.5 4167.6 4541.2 3997.6 4348.5 4487.3 - Isp, M/SEC 1537.9 2967.4 3882.1 4380.8 653.6 4124.4 4309.1 + Ae/At 0.100000000000000E+01 0.235027559730687E+01 0.122377107125188E+02 0.687533022578334E+02 0.158000000000000E+01 0.250000000000000E+02 0.500000000000000E+02 + CSTAR, M/SEC 0.233233560769645E+04 0.233233560769645E+04 0.233233560769645E+04 0.233233560769645E+04 0.233233560769645E+04 0.233233560769645E+04 0.233233560769645E+04 + CF 0.659389123922631E+00 0.127228100801471E+01 0.166448025020649E+01 0.187829370185562E+01 0.280230660830671E+00 0.176836250709485E+01 0.184755641075499E+01 + Ivac, M/SEC 0.287892478281259E+04 0.351554944433854E+04 0.416755104037905E+04 0.454116705755250E+04 0.399759360063360E+04 0.434851382282217E+04 0.448730214700488E+04 + Isp, M/SEC 0.153791673305252E+04 0.296738629798865E+04 0.388212655586410E+04 0.438081128254984E+04 0.653591948623681E+03 0.412441484261268E+04 0.430912160403171E+04 MOLE FRACTIONS - *H 0.03350 0.02652 0.00793 0.00019 0.00000 0.03226 0.00001 0.00000 - HO2 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 - *H2 0.29479 0.29432 0.29711 0.30040 0.30052 0.29466 0.30051 0.30052 - H2O 0.63456 0.65280 0.69030 0.69937 0.69948 0.63794 0.69948 0.69948 - H2O2 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 - *O 0.00207 0.00120 0.00007 0.00000 0.00000 0.00190 0.00000 0.00000 - *OH 0.03334 0.02409 0.00452 0.00003 0.00000 0.03164 0.00000 0.00000 - *O2 0.00172 0.00104 0.00007 0.00000 0.00000 0.00159 0.00000 0.00000 + *H 0.334978853941612E-01 0.265232538079121E-01 0.793321566862779E-02 0.190772773899376E-03 0.868625481711506E-07 0.322586187215865E-01 0.144365968424754E-04 0.543752186662056E-06 + HO2 0.149369058588176E-04 0.670889966587152E-05 0.167184493186171E-06 0.000000000000000E+00 0.000000000000000E+00 0.130904497880884E-04 0.000000000000000E+00 0.000000000000000E+00 + *H2 0.294794419645594E+00 0.294323316908824E+00 0.297105515313478E+00 0.300404288323351E+00 0.300517529701349E+00 0.294658932364533E+00 0.300508554299098E+00 0.300517237406935E+00 + H2O 0.634556200794807E+00 0.652803409799509E+00 0.690299330688462E+00 0.699374257083734E+00 0.699482383436103E+00 0.637936116685633E+00 0.699475992327229E+00 0.699482205116445E+00 + H2O2 0.561453514692422E-05 0.265414171610935E-05 0.107072931563408E-06 0.000000000000000E+00 0.000000000000000E+00 0.495348898991880E-05 0.000000000000000E+00 0.000000000000000E+00 + *O 0.206778128435225E-02 0.120269031325541E-02 0.711414221720798E-04 0.132262952833741E-07 0.000000000000000E+00 0.189538078931985E-02 0.000000000000000E+00 0.000000000000000E+00 + *OH 0.333413917847615E-01 0.240948350677661E-01 0.452311518956010E-02 0.306548938045994E-04 0.000000000000000E+00 0.316426235763188E-01 0.101677683007408E-05 0.137244326491258E-07 + *O2 0.172176965531815E-02 0.104313106135148E-02 0.674074602760310E-04 0.136989150043904E-07 0.000000000000000E+00 0.159028392383058E-02 0.000000000000000E+00 0.000000000000000E+00 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K @@ -157,7 +171,9 @@ + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 9 Area= T Pp= 4.3376593788809606E-002 Tt= 1219.6137411767891 AppNpt= 1229.1698204702025 3 3 1067.700 -11.005 -33.799 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 9 Area= T Pp= 4.7486179967753464E-002 Tt= 1067.7003633888339 AppNpt= 1122.7940431554237 3 2 1088.644 -10.984 -33.289 @@ -173,48 +189,48 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) KJ/KG-MOL K - FUEL H2(L) 1.0000000 -9012.000 20.270 - OXIDANT O2(L) 1.0000000 -12979.000 90.170 + FUEL H2(L) 0.100000000000000E+01 -0.901200000000000E+04 0.202700000000000E+02 + OXIDANT O2(L) 0.100000000000000E+01 -0.129790000000000E+05 0.901700000000000E+02 - O/F= 5.55157 %FUEL= 15.263517 R,EQ.RATIO= 1.429629 PHI,EQ.RATIO= 1.429629 + O/F= 0.555157000000000E+01 %FUEL= 0.152635169890576E+02 R,EQ.RATIO= 0.142962850852136E+01 PHI,EQ.RATIO= 0.142962850852136E+01 CHAMBER THROAT EXIT - Pinf/P 1.0000 1.7392 1122.79 - P, BAR 53.317 30.655 0.04749 - T, K 3383.84 3185.67 1088.64 - RHO, KG/CU M 2.4097 0 1.4864 0 6.9287-3 - H, KJ/KG -1026.05 -2208.65 -10702.2 - U, KJ/KG -3238.68 -4271.01 -11387.5 - G, KJ/KG -64163.7 -61648.7 -31014.7 - S, KJ/(KG)(K) 18.6586 18.6586 18.6586 - - M, (1/n) 12.716 12.843 13.207 - (dLV/dLP)t -1.02010 -1.01475 -1.00000 - (dLV/dLT)p 1.3658 1.2844 1.0000 - Cp, KJ/(KG)(K) 8.3253 7.4796 2.9416 - GAMMAs 1.1447 1.1468 1.2723 - SON VEL,M/SEC 1591.5 1537.9 933.8 - MACH NUMBER 0.000 1.000 4.711 + Pinf/P 0.100000000000000E+01 0.173924057213060E+01 0.112279404315542E+04 + P, BAR 0.533172000000000E+02 0.306554486218577E+02 0.474861799677535E-01 + T, K 0.338384462594510E+04 0.318567317308071E+04 0.108864365096658E+04 + RHO, KG/CU M 0.240967731792388E+01 0.148642660179137E+01 0.692874982777510E-02 + H, KJ/KG -0.102605493530542E+04 -0.220864887420689E+04 -0.107021756649656E+05 + U, KJ/KG -0.323868314089175E+04 -0.427100759309103E+04 -0.113875255642706E+05 + G, KJ/KG -0.641637491029525E+05 -0.616487475648706E+05 -0.310147069702462E+05 + S, KJ/(KG)(K) 0.186585677378768E+02 0.186585677378769E+02 0.186585677390812E+02 + + M, (1/n) 0.127156518704015E+02 0.128432125855595E+02 0.132071785982268E+02 + (dLV/dLP)t -0.102010404727908E+01 -0.101475465800604E+01 -0.100000001262024E+01 + (dLV/dLT)p 0.136578843385499E+01 0.128443777198008E+01 0.100000062117523E+01 + Cp, KJ/(KG)(K) 0.832530666015866E+01 0.747961103025544E+01 0.294163298085978E+01 + GAMMAs 0.114469528826310E+01 0.114684079900260E+01 0.127228446318268E+01 + SON VEL,M/SEC 0.159147261415731E+04 0.153791973815121E+04 0.933787999885194E+03 + MACH NUMBER 0.000000000000000E+00 0.999998045997713E+00 0.471104604026011E+01 PERFORMANCE PARAMETERS - Ae/At 1.0000 75.000 - CSTAR, M/SEC 2332.3 2332.3 - CF 0.6594 1.8861 - Ivac, M/SEC 2878.9 4554.9 - Isp, M/SEC 1537.9 4399.1 + Ae/At 0.100000000000000E+01 0.750000000000000E+02 + CSTAR, M/SEC 0.233233560769645E+04 0.233233560769645E+04 + CF 0.659389123922631E+00 0.188614290532844E+01 + Ivac, M/SEC 0.287892478281259E+04 0.455491082019847E+04 + Isp, M/SEC 0.153791673305252E+04 0.439911825930155E+04 MOLE FRACTIONS - *H 0.03350 0.02652 0.00000 - HO2 0.00001 0.00001 0.00000 - *H2 0.29479 0.29432 0.30052 - H2O 0.63456 0.65280 0.69948 - H2O2 0.00001 0.00000 0.00000 - *O 0.00207 0.00120 0.00000 - *OH 0.03334 0.02409 0.00000 - *O2 0.00172 0.00104 0.00000 + *H 0.334978853941612E-01 0.265232538079121E-01 0.504845256650766E-07 + HO2 0.149369058588176E-04 0.670889966587152E-05 0.000000000000000E+00 + *H2 0.294794419645594E+00 0.294323316908824E+00 0.300517553356785E+00 + H2O 0.634556200794807E+00 0.652803409799509E+00 0.699482396158689E+00 + H2O2 0.561453514692422E-05 0.265414171610935E-05 0.000000000000000E+00 + *O 0.206778128435225E-02 0.120269031325541E-02 0.000000000000000E+00 + *OH 0.333413917847615E-01 0.240948350677661E-01 0.000000000000000E+00 + *O2 0.172176965531815E-02 0.104313106135148E-02 0.000000000000000E+00 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K diff --git a/test/main_interface/reference_output/example9.out b/test/main_interface/reference_output/example9.out index 795c693..f7abc7b 100644 --- a/test/main_interface/reference_output/example9.out +++ b/test/main_interface/reference_output/example9.out @@ -15,11 +15,11 @@ # (c) Fuel, oxidant, and the remaining parameters are the same as in # example 8. - reac fuel = H2(L) wt%=100. t,k= 20.27 - oxid = O2(L) wt%=100. t,k= 90.17 + reac fuel = H2(L) wt%=100. + oxid = O2(L) wt%=100. problem o/f=5.55157 case=9 rocket fac p,bar=53.3172 acat=1.58 pi/p=10,100,1000, supar=25,50,75 - output siunits + output siunits long end OPTIONS: TP=F HP=F SP=F TV=F UV=F SV=F DETN=F SHOCK=F REFL=F INCD=F @@ -62,34 +62,56 @@ KG-FORM.WT./KG bi(2) bi(1) b0i *H 0.99212255E+00 0.00000000E+00 0.15143279E+00 *O 0.00000000E+00 0.62502344E-01 0.52962288E-01 + DBG ROCKET POINT Npt= 1 Eql= T Nfz= 1 ipp= 1 Area= F Pp= 53.317200000000000 Tt= 3800.0000000000000 AppNpt= 1.0000000000000000 POINT ITN T H O 1 9 3383.845 -9.262 -16.577 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 49.140823416562469 Tt= 3383.8446259451043 AppNpt= 1.0000000000000000 2 3 3375.883 -9.299 -16.595 Pinf/Pt = 1.737372 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.284568116614587 Tt= 3375.8825910314567 AppNpt= 1.7373722382452341 3 4 3179.843 -9.467 -16.998 Pinf/Pt = 1.738810 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.261175985958271 Tt= 3179.8427699021822 AppNpt= 1.7388102830886574 3 2 3179.552 -9.467 -16.999 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 45.364148850730686 Tt= 3375.8825910314567 AppNpt= 1.0832524066142806 4 3 3347.178 -9.323 -16.650 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.678071099506759 Tt= 3347.1784817959783 AppNpt= 1.0998868618816666 4 2 3341.723 -9.328 -16.661 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.595208370591081 Tt= 3341.7230104212122 AppNpt= 1.1019305708406344 4 2 3341.059 -9.329 -16.662 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.594222935907865 Tt= 3341.0587589995289 AppNpt= 1.1019549210934589 4 1 3341.051 -9.329 -16.662 + DBG ROCKET POINT Npt= 2 Eql= T Nfz= 1 ipp= 2 Area= F Pp= 49.150828096206453 Tt= 3375.8825910314567 AppNpt= 1.0000000000000000 2 1 3375.903 -9.299 -16.595 Pinf/Pt = 1.737373 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.290311309904563 Tt= 3375.9025415169754 AppNpt= 1.7373731790289113 3 4 3179.858 -9.467 -16.998 Pinf/Pt = 1.738811 + DBG ROCKET POINT Npt= 3 Eql= T Nfz= 1 ipp= 3 Area= F Pp= 28.266912229964742 Tt= 3179.8581704726098 AppNpt= 1.7388113599512089 3 2 3179.568 -9.467 -16.999 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 45.373380567538000 Tt= 3375.9025415169754 AppNpt= 1.0832525035917424 4 3 3347.198 -9.323 -16.650 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.687162578296672 Tt= 3347.1977624497890 AppNpt= 1.0998869755959324 4 2 3341.742 -9.328 -16.661 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.604282927145441 Tt= 3341.7421648130953 AppNpt= 1.1019306862636291 4 2 3341.078 -9.329 -16.662 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= T Pp= 44.603297291517478 Tt= 3341.0778981354892 AppNpt= 1.1019550365294140 4 1 3341.070 -9.329 -16.662 END OF CHAMBER ITERATIONS + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 4 Area= F Pp= 5.3317199999999998 Tt= 3341.0699914147012 AppNpt= 9.2185688851264604 4 5 2595.089 -9.940 -18.703 + DBG ROCKET POINT Npt= 5 Eql= T Nfz= 1 ipp= 5 Area= F Pp= 0.53317200000000009 Tt= 2595.0889748454247 AppNpt= 92.185688851264601 5 4 1787.281 -10.478 -23.290 + DBG ROCKET POINT Npt= 6 Eql= T Nfz= 1 ipp= 6 Area= F Pp= 5.3317200000000002E-002 Tt= 1787.2809174324741 AppNpt= 921.85688851264604 6 4 1136.042 -10.982 -32.205 + DBG ROCKET POINT Npt= 7 Eql= T Nfz= 1 ipp= 7 Area= T Pp= 0.17244435014692142 Tt= 1136.0421465062461 AppNpt= 285.02428786057811 7 5 1443.074 -10.724 -26.955 + DBG ROCKET POINT Npt= 7 Eql= T Nfz= 1 ipp= 7 Area= T Pp= 0.18924429099250484 Tt= 1443.0740434992017 AppNpt= 259.72158968934554 7 2 1469.586 -10.704 -26.608 + DBG ROCKET POINT Npt= 8 Eql= T Nfz= 1 ipp= 8 Area= T Pp= 8.2486799916381484E-002 Tt= 1469.5862787864419 AppNpt= 595.86295196360663 8 3 1244.272 -10.886 -30.048 + DBG ROCKET POINT Npt= 8 Eql= T Nfz= 1 ipp= 8 Area= T Pp= 7.5234896402421453E-002 Tt= 1244.2716173594281 AppNpt= 653.29827575365039 8 2 1220.874 -10.906 -30.480 @@ -106,48 +128,48 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) KJ/KG-MOL K - FUEL H2(L) 1.0000000 -9012.000 20.270 - OXIDANT O2(L) 1.0000000 -12979.000 90.170 + FUEL H2(L) 0.100000000000000E+01 -0.901200000000000E+04 0.202700000000000E+02 + OXIDANT O2(L) 0.100000000000000E+01 -0.129790000000000E+05 0.901700000000000E+02 - O/F= 5.55157 %FUEL= 15.263517 R,EQ.RATIO= 1.429629 PHI,EQ.RATIO= 1.429629 + O/F= 0.555157000000000E+01 %FUEL= 0.152635169890576E+02 R,EQ.RATIO= 0.142962850852136E+01 PHI,EQ.RATIO= 0.142962850852136E+01 INJECTOR COMB END THROAT EXIT EXIT EXIT EXIT EXIT - Pinj/P 1.0000 1.1954 1.8862 10.000 100.000 1000.00 281.74 708.68 - P, BAR 53.317 44.603 28.267 5.3317 0.53317 0.05332 0.18924 0.07523 - T, K 3383.84 3341.07 3179.57 2595.09 1787.28 1136.04 1469.59 1220.87 - RHO, KG/CU M 2.4097 0 2.0439 0 1.3723 0 3.2399-1 4.7379-2 7.4550-3 2.0455-2 9.7886-3 - H, KJ/KG -1026.05 -1239.23 -2206.45 -5291.36 -8467.11 -10561.9 -9526.83 -10306.5 - U, KJ/KG -3238.68 -3421.53 -4266.21 -6936.98 -9592.44 -11277.1 -10452.0 -11075.1 - G, KJ/KG -64163.7 -63756.6 -61701.9 -53850.1 -41910.3 -31819.3 -37025.4 -33151.2 - S, KJ/(KG)(K) 18.6586 18.7118 18.7118 18.7118 18.7118 18.7118 18.7118 18.7118 - - M, (1/n) 12.716 12.729 12.835 13.112 13.205 13.207 13.207 13.207 - (dLV/dLP)t -1.02010 -1.01954 -1.01512 -1.00370 -1.00007 -1.00000 -1.00000 -1.00000 - (dLV/dLT)p 1.3658 1.3599 1.2919 1.0859 1.0022 1.0000 1.0002 1.0000 - Cp, KJ/(KG)(K) 8.3253 8.2938 7.5802 5.0243 3.4587 2.9781 3.2246 3.0430 - GAMMAs 1.1447 1.1443 1.1461 1.1697 1.2237 1.2681 1.2427 1.2609 - SON VEL,M/SEC 1591.5 1580.2 1536.5 1387.4 1173.5 952.3 1072.2 984.4 - MACH NUMBER 0.000 0.413 1.000 2.105 3.287 4.586 3.845 4.376 + Pinj/P 0.100000000000000E+01 0.119536454113539E+01 0.188620531192934E+01 0.100000000000000E+02 0.100000000000000E+03 0.100000000000000E+04 0.281737429015027E+03 0.708676459322990E+03 + P, BAR 0.533172000000000E+02 0.446032972915175E+02 0.282669122299647E+02 0.533172000000000E+01 0.533172000000000E+00 0.533172000000000E-01 0.189244290992505E+00 0.752348964024215E-01 + T, K 0.338384462594510E+04 0.334106999141470E+04 0.317956769928417E+04 0.259508897484542E+04 0.178728091743247E+04 0.113604214650625E+04 0.146958627878644E+04 0.122087416205775E+04 + RHO, KG/CU M 0.240967731792388E+01 0.204386268914584E+01 0.137233842198308E+01 0.323993975643758E+00 0.473790581615414E-01 0.745497623038067E-02 0.204549086416159E-01 0.978862514419132E-02 + H, KJ/KG -0.102605493530542E+04 -0.123922744711613E+04 -0.220644725161145E+04 -0.529136093910303E+04 -0.846711195239219E+04 -0.105618820514017E+05 -0.952683234247020E+04 -0.103064841993480E+05 + U, KJ/KG -0.323868314089175E+04 -0.342153145062811E+04 -0.426620975458925E+04 -0.693698412990656E+04 -0.959244457969373E+04 -0.112770714544574E+05 -0.104520102267042E+05 -0.110750793319041E+05 + G, KJ/KG -0.641637491029525E+05 -0.637566331690957E+05 -0.617018557245136E+05 -0.538501252694597E+05 -0.419103401821962E+05 -0.318192660549061E+05 -0.370254246765260E+05 -0.331512272089105E+05 + S, KJ/(KG)(K) 0.186585677378768E+02 0.187117916962607E+02 0.187117916961783E+02 0.187117916961784E+02 0.187117916963199E+02 0.187117916961785E+02 0.187117917001536E+02 0.187117916977278E+02 + + M, (1/n) 0.127156518704015E+02 0.127293721725351E+02 0.128347551686934E+02 0.131116851979380E+02 0.132053089906719E+02 0.132071780526825E+02 0.132070707904447E+02 0.132071750121697E+02 + (dLV/dLP)t -0.102010404727908E+01 -0.101954231242790E+01 -0.101511637365292E+01 -0.100370468825093E+01 -0.100007081148011E+01 -0.100000003327423E+01 -0.100000409390181E+01 -0.100000014837687E+01 + (dLV/dLT)p 0.136578843385499E+01 0.135985560050113E+01 0.129186966368153E+01 0.108586693595129E+01 0.100223851953844E+01 0.100000157116236E+01 0.100015327931136E+01 0.100000657761473E+01 + Cp, KJ/(KG)(K) 0.832530666015866E+01 0.829384930490329E+01 0.758016749464818E+01 0.502429335198510E+01 0.345869621464635E+01 0.297812216576668E+01 0.322458002249778E+01 0.304299322874302E+01 + GAMMAs 0.114469528826310E+01 0.114428319727466E+01 0.114614831912952E+01 0.116974609575734E+01 0.122367391882996E+01 0.126805468132133E+01 0.124268440265616E+01 0.126085282070180E+01 + SON VEL,M/SEC 0.159147261415731E+04 0.158024485525629E+04 0.153648733499304E+04 0.138742974688096E+04 0.117347355574691E+04 0.952312590789454E+03 0.107224256883415E+04 0.984421322839508E+03 + MACH NUMBER 0.000000000000000E+00 0.413196100264602E+00 0.999998157824780E+00 0.210513083757470E+01 0.328744886894763E+01 0.458579520545383E+01 0.384548635736650E+01 0.437641016606889E+01 PERFORMANCE PARAMETERS - Ae/At 1.5800 1.0000 2.2282 11.536 64.766 25.000 50.000 - CSTAR, M/SEC 2331.0 2331.0 2331.0 2331.0 2331.0 2331.0 2331.0 - CF 0.2801 0.6592 1.2530 1.6550 1.8735 1.7689 1.8482 - Ivac, M/SEC 3995.2 2877.1 3484.2 4149.4 4530.9 4347.7 4486.6 - Isp, M/SEC 653.0 1536.5 2920.7 3857.7 4367.1 4123.3 4308.2 + Ae/At 0.158000002071018E+01 0.100000000000000E+01 0.222824211085400E+01 0.115364096772369E+02 0.647662813491993E+02 0.250000000000000E+02 0.500000000000000E+02 + CSTAR, M/SEC 0.233099548251667E+04 0.233099548251667E+04 0.233099548251667E+04 0.233099548251667E+04 0.233099548251667E+04 0.233099548251667E+04 0.233099548251667E+04 + CF 0.280116806983315E+00 0.659153789030630E+00 0.125299305255375E+01 0.165497288283678E+01 0.187349591438102E+01 0.176889839605677E+01 0.184823673717223E+01 + Ivac, M/SEC 0.399516806095605E+04 0.287705285839359E+04 0.348415158200744E+04 0.414944248626069E+04 0.453087769971441E+04 0.434767250611254E+04 0.448663302519288E+04 + Isp, M/SEC 0.652951011655102E+03 0.153648450451414E+04 0.292072114512756E+04 0.385773431358013E+04 0.436711051293560E+04 0.412329417023932E+04 0.430823148496981E+04 MOLE FRACTIONS - *H 0.03350 0.03296 0.02716 0.00889 0.00024 0.00000 0.00002 0.00000 - HO2 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 - *H2 0.29479 0.29453 0.29418 0.29677 0.30037 0.30052 0.30051 0.30052 - H2O 0.63456 0.63673 0.65176 0.68895 0.69934 0.69948 0.69948 0.69948 - H2O2 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 - *O 0.00207 0.00197 0.00126 0.00009 0.00000 0.00000 0.00000 0.00000 - *OH 0.03334 0.03214 0.02455 0.00521 0.00004 0.00000 0.00000 0.00000 - *O2 0.00172 0.00165 0.00109 0.00009 0.00000 0.00000 0.00000 0.00000 + *H 0.334978853941612E-01 0.329619522820382E-01 0.271575050943523E-01 0.889136544666395E-02 0.241709710890877E-03 0.133096918802274E-06 0.152938372016336E-04 0.578835742946648E-06 + HO2 0.149369058588176E-04 0.130309639661216E-04 0.671458390865953E-05 0.215616099209019E-06 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 + *H2 0.294794419645594E+00 0.294529653707274E+00 0.294182042235319E+00 0.296770737758297E+00 0.300374935999815E+00 0.300517499637040E+00 0.300508019830888E+00 0.300517214935707E+00 + H2O 0.634556200794807E+00 0.636729567616617E+00 0.651762138589926E+00 0.688946540116416E+00 0.699341939253285E+00 0.699482367266042E+00 0.699475603916252E+00 0.699482191526476E+00 + H2O2 0.561453514692422E-05 0.479143129056681E-05 0.257782237727151E-05 0.128107460864285E-06 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 + *O 0.206778128435225E-02 0.196916679949807E-02 0.125567527224998E-02 0.916821577155858E-04 0.224638586178637E-07 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 + *OH 0.333413917847615E-01 0.321413789557060E-01 0.245450922400146E-01 0.521272412174469E-02 0.413693987200324E-04 0.000000000000000E+00 0.108241565827651E-05 0.147020745149473E-07 + *O2 0.172176965531815E-02 0.165045824360979E-02 0.108825416185239E-02 0.866066756026388E-04 0.231734313936528E-07 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K @@ -162,7 +184,9 @@ + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 9 Area= T Pp= 4.0014831330689261E-002 Tt= 1220.8741620577493 AppNpt= 1228.3152636585116 4 3 1068.591 -11.046 -33.777 + DBG ROCKET POINT Npt= 4 Eql= T Nfz= 1 ipp= 9 Area= T Pp= 4.3855304522526034E-002 Tt= 1068.5906452489228 AppNpt= 1120.7498985889017 4 2 1089.809 -11.026 -33.261 @@ -179,48 +203,48 @@ REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) KJ/KG-MOL K - FUEL H2(L) 1.0000000 -9012.000 20.270 - OXIDANT O2(L) 1.0000000 -12979.000 90.170 + FUEL H2(L) 0.100000000000000E+01 -0.901200000000000E+04 0.202700000000000E+02 + OXIDANT O2(L) 0.100000000000000E+01 -0.129790000000000E+05 0.901700000000000E+02 - O/F= 5.55157 %FUEL= 15.263517 R,EQ.RATIO= 1.429629 PHI,EQ.RATIO= 1.429629 + O/F= 0.555157000000000E+01 %FUEL= 0.152635169890576E+02 R,EQ.RATIO= 0.142962850852136E+01 PHI,EQ.RATIO= 0.142962850852136E+01 INJECTOR COMB END THROAT EXIT - Pinj/P 1.0000 1.1954 1.8862 1215.75 - P, BAR 53.317 44.603 28.267 0.04386 - T, K 3383.84 3341.07 3179.57 1089.81 - RHO, KG/CU M 2.4097 0 2.0439 0 1.3723 0 6.3921-3 - H, KJ/KG -1026.05 -1239.23 -2206.45 -10698.7 - U, KJ/KG -3238.68 -3421.53 -4266.21 -11384.8 - G, KJ/KG -64163.7 -63756.6 -61701.9 -31091.0 - S, KJ/(KG)(K) 18.6586 18.7118 18.7118 18.7118 - - M, (1/n) 12.716 12.729 12.835 13.207 - (dLV/dLP)t -1.02010 -1.01954 -1.01512 -1.00000 - (dLV/dLT)p 1.3658 1.3599 1.2919 1.0000 - Cp, KJ/(KG)(K) 8.3253 8.2938 7.5802 2.9425 - GAMMAs 1.1447 1.1443 1.1461 1.2722 - SON VEL,M/SEC 1591.5 1580.2 1536.5 934.2 - MACH NUMBER 0.000 0.413 1.000 4.708 + Pinj/P 0.100000000000000E+01 0.119536454113539E+01 0.188620531192934E+01 0.121575258866607E+04 + P, BAR 0.533172000000000E+02 0.446032972915175E+02 0.282669122299647E+02 0.438553045225260E-01 + T, K 0.338384462594510E+04 0.334106999141470E+04 0.317956769928417E+04 0.108980912151103E+04 + RHO, KG/CU M 0.240967731792388E+01 0.204386268914584E+01 0.137233842198308E+01 0.639212239981807E-02 + H, KJ/KG -0.102605493530542E+04 -0.123922744711613E+04 -0.220644725161145E+04 -0.106987467204730E+05 + U, KJ/KG -0.323868314089175E+04 -0.342153145062811E+04 -0.426620975458925E+04 -0.113848303368282E+05 + G, KJ/KG -0.641637491029525E+05 -0.637566331690957E+05 -0.617018557245136E+05 -0.310910279921656E+05 + S, KJ/(KG)(K) 0.186585677378768E+02 0.187117916962607E+02 0.187117916961783E+02 0.187117916974475E+02 + + M, (1/n) 0.127156518704015E+02 0.127293721725351E+02 0.128347551686934E+02 0.132071785754505E+02 + (dLV/dLP)t -0.102010404727908E+01 -0.101954231242790E+01 -0.101511637365292E+01 -0.100000001348244E+01 + (dLV/dLT)p 0.136578843385499E+01 0.135985560050113E+01 0.129186966368153E+01 0.100000066292445E+01 + Cp, KJ/(KG)(K) 0.832530666015866E+01 0.829384930490329E+01 0.758016749464818E+01 0.294253031658761E+01 + GAMMAs 0.114469528826310E+01 0.114428319727466E+01 0.114614831912952E+01 0.127217885697096E+01 + SON VEL,M/SEC 0.159147261415731E+04 0.158024485525629E+04 0.153648733499304E+04 0.934248934086269E+03 + MACH NUMBER 0.000000000000000E+00 0.413196100264602E+00 0.999998157824780E+00 0.470788733922294E+01 PERFORMANCE PARAMETERS - Ae/At 1.5800 1.0000 75.000 - CSTAR, M/SEC 2331.0 2331.0 2331.0 - CF 0.2801 0.6592 1.8869 - Ivac, M/SEC 3995.2 2877.1 4554.3 - Isp, M/SEC 653.0 1536.5 4398.3 + Ae/At 0.158000002071018E+01 0.100000000000000E+01 0.750000000000000E+02 + CSTAR, M/SEC 0.233099548251667E+04 0.233099548251667E+04 0.233099548251667E+04 + CF 0.280116806983315E+00 0.659153789030630E+00 0.188689285820434E+01 + Ivac, M/SEC 0.399516806095605E+04 0.287705285839359E+04 0.455432571780821E+04 + Isp, M/SEC 0.652951011655102E+03 0.153648450451414E+04 0.439833872846727E+04 MOLE FRACTIONS - *H 0.03350 0.03296 0.02716 0.00000 - HO2 0.00001 0.00001 0.00001 0.00000 - *H2 0.29479 0.29453 0.29418 0.30052 - H2O 0.63456 0.63673 0.65176 0.69948 - H2O2 0.00001 0.00000 0.00000 0.00000 - *O 0.00207 0.00197 0.00126 0.00000 - *OH 0.03334 0.03214 0.02455 0.00000 - *O2 0.00172 0.00165 0.00109 0.00000 + *H 0.334978853941612E-01 0.329619522820382E-01 0.271575050943523E-01 0.539337146095239E-07 + HO2 0.149369058588176E-04 0.130309639661216E-04 0.671458390865953E-05 0.000000000000000E+00 + *H2 0.294794419645594E+00 0.294529653707274E+00 0.294182042235319E+00 0.300517551113957E+00 + H2O 0.634556200794807E+00 0.636729567616617E+00 0.651762138589926E+00 0.699482394952329E+00 + H2O2 0.561453514692422E-05 0.479143129056681E-05 0.257782237727151E-05 0.000000000000000E+00 + *O 0.206778128435225E-02 0.196916679949807E-02 0.125567527224998E-02 0.000000000000000E+00 + *OH 0.333413917847615E-01 0.321413789557060E-01 0.245450922400146E-01 0.000000000000000E+00 + *O2 0.172176965531815E-02 0.165045824360979E-02 0.108825416185239E-02 0.000000000000000E+00 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K diff --git a/test/main_interface/test_main.py b/test/main_interface/test_main.py index 7311f96..997c2ad 100644 --- a/test/main_interface/test_main.py +++ b/test/main_interface/test_main.py @@ -4,6 +4,7 @@ import warnings import csv from pathlib import Path +import numpy as np # This program will run the tests in `test_names`, executing the `.inp` files # with the CEA main interface, and compare the output files generated in `test_dir` @@ -94,6 +95,109 @@ def ref_round(ref_val, test_val): return test_val + +def resolve_dataset_key(dataset, key): + if key in dataset: + return key + + fallback_keys = { + "Pinf/P": "Pinj/P", + "Pinj/P": "Pinf/P", + } + fallback_key = fallback_keys.get(key) + if fallback_key in dataset: + return fallback_key + + return None + + +def find_block_starts(vals): + if len(vals) < 3: + return [0] + + starts = [0] + first_val = vals[0] + second_val = vals[1] + for i in range(1, len(vals) - 1): + if np.isclose(vals[i], first_val, rtol=1e-6, atol=1e-12) and np.isclose(vals[i + 1], second_val, rtol=1e-6, atol=1e-12): + starts.append(i) + + return starts + + +def last_block_length(dataset, control_keys): + for control_key in control_keys: + dataset_key = resolve_dataset_key(dataset, control_key) + if dataset_key is None: + continue + starts = find_block_starts(dataset[dataset_key]["vals"]) + if len(starts) > 1: + return len(dataset[dataset_key]["vals"]) - starts[-1] + + return None + + +def block_sizes(dataset, control_keys): + for control_key in control_keys: + dataset_key = resolve_dataset_key(dataset, control_key) + if dataset_key is None: + continue + starts = find_block_starts(dataset[dataset_key]["vals"]) + if len(starts) == 1: + continue + sizes = [] + for i, start in enumerate(starts): + end = starts[i + 1] if i + 1 < len(starts) else len(dataset[dataset_key]["vals"]) + sizes.append(end - start) + return sizes + + return [] + + +def alignment_score(ref_vals, test_vals): + score = 0.0 + for ref_val, test_val in zip(ref_vals, test_vals): + if round_vals: + test_val = ref_round(ref_val, test_val) + abs_err = abs(test_val - ref_val) + rel_err = abs_err + if abs(ref_val) > 1e-20: + rel_err /= abs(ref_val) + score += rel_err + return score + + +def select_aligned_series(ref_vals, test_vals, candidate_lengths=None): + if candidate_lengths is None: + candidate_lengths = [] + + valid_lengths = [] + for candidate_len in candidate_lengths: + if candidate_len is None: + continue + if candidate_len <= len(ref_vals) and candidate_len <= len(test_vals): + valid_lengths.append(candidate_len) + + if len(ref_vals) != len(test_vals): + valid_lengths.append(min(len(ref_vals), len(test_vals))) + + valid_lengths = sorted(set(valid_lengths), reverse=True) + if not valid_lengths: + return ref_vals, test_vals + + best = None + for compare_len in valid_lengths: + for ref_start in range(len(ref_vals) - compare_len + 1): + ref_window = ref_vals[ref_start:ref_start + compare_len] + for test_start in range(len(test_vals) - compare_len + 1): + test_window = test_vals[test_start:test_start + compare_len] + score = alignment_score(ref_window, test_window) + candidate = (score, -compare_len, ref_start + test_start, ref_window, test_window) + if best is None or candidate < best: + best = candidate + + return best[3], best[4] + def run_tests(test_names): cea_exe = resolve_cea_exe(REPO_ROOT) @@ -136,24 +240,45 @@ def run_tests(test_names): # Get the test output thermo, amounts, transport, rocket, shock, deton = parse_output(str(test_dir / f"{test}.out")) + thermo_block_len_ref = last_block_length(thermo_ref, ["Pinf/P", "Pinj/P"]) + thermo_block_len_test = last_block_length(thermo, ["Pinf/P", "Pinj/P"]) + rocket_block_len_ref = last_block_length(rocket_ref, ["Ae/At"]) + rocket_block_len_test = last_block_length(rocket, ["Ae/At"]) + thermo_block_sizes_ref = block_sizes(thermo_ref, ["Pinf/P", "Pinj/P"]) + thermo_block_sizes_test = block_sizes(thermo, ["Pinf/P", "Pinj/P"]) + rocket_block_sizes_ref = block_sizes(rocket_ref, ["Ae/At"]) + rocket_block_sizes_test = block_sizes(rocket, ["Ae/At"]) + # Compare thermo output # --------------------- for var in thermo_ref: if var not in thermo_val_to_test: continue + test_key = resolve_dataset_key(thermo, thermo_val_to_test[var]) + if test_key is None: + test_passed = False + warnings.warn(f"Property {var} not found in test output. SKIPPING.") + continue + + ref_vals, test_vals = select_aligned_series( + thermo_ref[var]["vals"], + thermo[test_key]["vals"], + candidate_lengths=thermo_block_sizes_ref + thermo_block_sizes_test + [thermo_block_len_ref, thermo_block_len_test], + ) + # Make sure the reference and test arrays are the same length - ref_len = len(thermo_ref[var]["vals"]) - test_len = len(thermo[thermo_val_to_test[var]]["vals"]) + ref_len = len(ref_vals) + test_len = len(test_vals) if ref_len != test_len: test_passed = False warnings.warn(f"Property {var} has reference length of {ref_len}; test array has length of {test_len}. SKIPPING.") - print("Reference: ", thermo_ref[var]["vals"]) - print("Test: ", thermo[thermo_val_to_test[var]]["vals"]) + print("Reference: ", ref_vals) + print("Test: ", test_vals) continue for i in range(ref_len): - ref_val = thermo_ref[var]["vals"][i] - test_val = thermo[thermo_val_to_test[var]]["vals"][i] + ref_val = ref_vals[i] + test_val = test_vals[i] # Round the test value to the number of digits in the reference value if round_vals: @@ -249,19 +374,30 @@ def run_tests(test_names): for var in rocket_ref: if var not in rocket_val_to_test: continue + test_key = resolve_dataset_key(rocket, rocket_val_to_test[var]) + if test_key is None: + test_passed = False + warnings.warn(f"Property {var} not found in test output. SKIPPING.") + continue + + ref_vals, test_vals = select_aligned_series( + rocket_ref[var]["vals"], + rocket[test_key]["vals"], + candidate_lengths=rocket_block_sizes_ref + rocket_block_sizes_test + [rocket_block_len_ref, rocket_block_len_test], + ) # Make sure the reference and test arrays are the same length - ref_len = len(rocket_ref[var]["vals"]) - test_len = len(rocket[rocket_val_to_test[var]]["vals"]) + ref_len = len(ref_vals) + test_len = len(test_vals) if ref_len != test_len: test_passed = False warnings.warn(f"Property {var} has reference length of {ref_len}; test array has length of {test_len}. SKIPPING.") - print("Reference: ", rocket_ref[var]["vals"]) - print("Test: ", rocket[rocket_val_to_test[var]]["vals"]) + print("Reference: ", ref_vals) + print("Test: ", test_vals) continue for i in range(ref_len): - ref_val = rocket_ref[var]["vals"][i] - test_val = rocket[rocket_val_to_test[var]]["vals"][i] + ref_val = ref_vals[i] + test_val = test_vals[i] # Round the test value to the number of digits in the reference value if round_vals: @@ -308,19 +444,25 @@ def run_tests(test_names): warnings.warn(f"Species {name} not found in test output.") continue + ref_vals, test_vals = select_aligned_series( + amounts_ref[name], + amounts[name], + candidate_lengths=thermo_block_sizes_ref + thermo_block_sizes_test + [thermo_block_len_ref, thermo_block_len_test], + ) + # Make sure the reference and test arrays are the same length - ref_len = len(amounts_ref[name]) - test_len = len(amounts[name]) + ref_len = len(ref_vals) + test_len = len(test_vals) if ref_len != test_len: test_passed = False warnings.warn(f"Species {name} has reference length of {ref_len}; test array has length of {test_len}. SKIPPING.") - print("Reference: ", amounts_ref[name]) - print("Test: ", amounts[name]) + print("Reference: ", ref_vals) + print("Test: ", test_vals) continue for i in range(ref_len): - ref_val = amounts_ref[name][i] - test_val = amounts[name][i] + ref_val = ref_vals[i] + test_val = test_vals[i] # Round the test value to the number of digits in the reference value if round_vals: From ff92b03f7dfa4758ac1fdf9bdcd0959f6392e1d5 Mon Sep 17 00:00:00 2001 From: Mark Leader Date: Tue, 19 May 2026 10:04:21 -0400 Subject: [PATCH 2/5] updated frozen formatting --- source/main.f90 | 397 ++++++++++++------ .../reference_output/example7.out | 162 +++---- 2 files changed, 353 insertions(+), 206 deletions(-) diff --git a/source/main.f90 b/source/main.f90 index 6f17e87..9f30c2e 100644 --- a/source/main.f90 +++ b/source/main.f90 @@ -3070,119 +3070,220 @@ subroutine rocket_output(ioout, prob, solver, solutions) if (prob%problem%rkt_finite_area) np = np + 1 nc = np - ne - ! Print the header with station names aligned to F13.x value columns. - write(ioout, '(/,A)', advance='no') repeat(' ', 18) - if (prob%problem%rkt_finite_area) then - write(ioout, '(A13)', advance='no') "INJECTOR" - write(ioout, '(A13)', advance='no') "COMB END" + ! Print the header with station names aligned to the value columns. + if (prob%output%long) then + call write_long_station_header(ioout, prob%problem%rkt_finite_area, ne) else - write(ioout, '(A13)', advance='no') "CHAMBER" + write(ioout, '(/,A)', advance='no') repeat(' ', 18) + if (prob%problem%rkt_finite_area) then + write(ioout, '(A13)', advance='no') "INJECTOR" + write(ioout, '(A13)', advance='no') "COMB END" + else + write(ioout, '(A13)', advance='no') "CHAMBER" + end if + write(ioout, '(A13)', advance='no') "THROAT" + do idx = 1, ne + write(ioout, '(A13)', advance='no') "EXIT" + end do + write(ioout, *) end if - write(ioout, '(A13)', advance='no') "THROAT" - do idx = 1, ne - write(ioout, '(A13)', advance='no') "EXIT" - end do - write(ioout, *) ! Print the rocket properties x = nc+max_exit+1 y = nc+max_exit+ne - write(ioout, pinj_fmt, advance="no") (solutions(i,j,k)%pressure(1)/solutions(i,j,k)%pressure(idx), idx=1,nc) - write(ioout, ffmt) (solutions(i,j,k)%pressure(1)/solutions(i,j,k)%pressure(idx), idx=x,y) - if (prob%output%siunit) then - write(ioout, p_fmt, advance="no") (solutions(i,j,k)%pressure(idx), idx=1,nc) - write(ioout, ffmt) (solutions(i,j,k)%pressure(idx), idx=x,y) + if (prob%output%long) then + if (prob%problem%rkt_finite_area) then + write(ioout, '(A, *(1X, ES23.15E3))') ' Pinj/P ', & + [ (solutions(i,j,k)%pressure(1)/solutions(i,j,k)%pressure(idx), idx=1,nc), & + (solutions(i,j,k)%pressure(1)/solutions(i,j,k)%pressure(idx), idx=x,y) ] + else + write(ioout, '(A, *(1X, ES23.15E3))') ' Pinf/P ', & + [ (solutions(i,j,k)%pressure(1)/solutions(i,j,k)%pressure(idx), idx=1,nc), & + (solutions(i,j,k)%pressure(1)/solutions(i,j,k)%pressure(idx), idx=x,y) ] + end if + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') ' P, bar ', & + [ (solutions(i,j,k)%pressure(idx), idx=1,nc), & + (solutions(i,j,k)%pressure(idx), idx=x,y) ] + else + write(ioout, '(A, *(1X, ES23.15E3))') ' P, atm ', & + [ (solutions(i,j,k)%pressure(idx)/1.01325d0, idx=1,nc), & + (solutions(i,j,k)%pressure(idx)/1.01325d0, idx=x,y) ] + end if + write(ioout, '(A, *(1X, ES23.15E3))') ' T, K ', & + [ (solutions(i,j,k)%eq_soln(idx)%T, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%T, idx=x,y) ] + if (prob%output%siunit) then + write(ioout, '(A, *(1X, ES23.15E3))') ' Density, kg/m^3 ', & + [ (solutions(i,j,k)%eq_soln(idx)%density, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%density, idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') ' H, kJ/kg ', & + [ (solutions(i,j,k)%eq_soln(idx)%enthalpy, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%enthalpy, idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') ' U, kJ/kg ', & + [ (solutions(i,j,k)%eq_soln(idx)%energy, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%energy, idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') ' G, kJ/kg ', & + [ (solutions(i,j,k)%eq_soln(idx)%gibbs_energy, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%gibbs_energy, idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') ' S, kJ/kg-K ', & + [ (solutions(i,j,k)%eq_soln(idx)%entropy, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%entropy, idx=x,y) ] + write(ioout, *) "" + write(ioout, '(A, *(1X, ES23.15E3))') 'M, (1/n) ', & + [ (1.0d0/solutions(i,j,k)%eq_soln(idx)%n, idx=1,nc), & + (1.0d0/solutions(i,j,k)%eq_soln(idx)%n, idx=x,y) ] + if (.not. frozen) then + write(ioout, '(A, *(1X, ES23.15E3))') '(dln(V)/dln(P))t', & + [ (solutions(i,j,k)%eq_partials(idx)%dlnV_dlnP, idx=1,nc), & + (solutions(i,j,k)%eq_partials(idx)%dlnV_dlnP, idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') '(dln(V)/dln(T))p', & + [ (solutions(i,j,k)%eq_partials(idx)%dlnV_dlnT, idx=1,nc), & + (solutions(i,j,k)%eq_partials(idx)%dlnV_dlnT, idx=x,y) ] + end if + write(ioout, '(A, *(1X, ES23.15E3))') 'Cp, kJ/(kg-K) ', & + [ (solutions(i,j,k)%eq_soln(idx)%cp_eq, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%cp_eq, idx=x,y) ] + else + write(ioout, '(A, *(1X, ES23.15E3))') ' Density, g/cc ', & + [ (solutions(i,j,k)%eq_soln(idx)%density/1.d3, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%density/1.d3, idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') ' H, cal/g ', & + [ (solutions(i,j,k)%eq_soln(idx)%enthalpy/4.184d0, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%enthalpy/4.184d0, idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') ' U, cal/g ', & + [ (solutions(i,j,k)%eq_soln(idx)%energy/4.184d0, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%energy/4.184d0, idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') ' G, cal/g ', & + [ (solutions(i,j,k)%eq_soln(idx)%gibbs_energy/4.184d0, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%gibbs_energy/4.184d0, idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') ' S, cal/g-K ', & + [ (solutions(i,j,k)%eq_soln(idx)%entropy/4.184d0, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%entropy/4.184d0, idx=x,y) ] + write(ioout, *) "" + write(ioout, '(A, *(1X, ES23.15E3))') 'M, (1/n) ', & + [ (1.0d0/solutions(i,j,k)%eq_soln(idx)%n, idx=1,nc), & + (1.0d0/solutions(i,j,k)%eq_soln(idx)%n, idx=x,y) ] + if (.not. frozen) then + write(ioout, '(A, *(1X, ES23.15E3))') '(dln(V)/dln(P))t', & + [ (solutions(i,j,k)%eq_partials(idx)%dlnV_dlnP, idx=1,nc), & + (solutions(i,j,k)%eq_partials(idx)%dlnV_dlnP, idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') '(dln(V)/dln(T))p', & + [ (solutions(i,j,k)%eq_partials(idx)%dlnV_dlnT, idx=1,nc), & + (solutions(i,j,k)%eq_partials(idx)%dlnV_dlnT, idx=x,y) ] + end if + write(ioout, '(A, *(1X, ES23.15E3))') 'Cp, cal/(g-K) ', & + [ (solutions(i,j,k)%eq_soln(idx)%cp_eq/4.184d0, idx=1,nc), & + (solutions(i,j,k)%eq_soln(idx)%cp_eq/4.184d0, idx=x,y) ] + end if + write(ioout, '(A, *(1X, ES23.15E3))') 'Gamma_s ', & + [ (solutions(i,j,k)%eq_partials(idx)%gamma_s, idx=1,nc), & + (solutions(i,j,k)%eq_partials(idx)%gamma_s, idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') 'Son. Vel., m/s ', & + [ (solutions(i,j,k)%v_sonic(idx), idx=1,nc), & + (solutions(i,j,k)%v_sonic(idx), idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') 'Mach ', & + [ (solutions(i,j,k)%mach(idx), idx=1,nc), & + (solutions(i,j,k)%mach(idx), idx=x,y) ] + else + write(ioout, pinj_fmt, advance="no") & + (solutions(i,j,k)%pressure(1)/solutions(i,j,k)%pressure(idx), idx=1,nc) + write(ioout, ffmt) (solutions(i,j,k)%pressure(1)/solutions(i,j,k)%pressure(idx), idx=x,y) + if (prob%output%siunit) then + write(ioout, p_fmt, advance="no") (solutions(i,j,k)%pressure(idx), idx=1,nc) + write(ioout, ffmt) (solutions(i,j,k)%pressure(idx), idx=x,y) - write(ioout, t_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%T, idx=1,nc) - write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%T, idx=x,y) + write(ioout, t_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%T, idx=1,nc) + write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%T, idx=x,y) - write(ioout, rho_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%density, idx=1,nc) - write(ioout, "(6(E13.4e1))") (solutions(i,j,k)%eq_soln(idx)%density, idx=x,y) + write(ioout, rho_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%density, idx=1,nc) + write(ioout, "(6(E13.4e1))") (solutions(i,j,k)%eq_soln(idx)%density, idx=x,y) - write(ioout, h_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%enthalpy, idx=1,nc) - write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%enthalpy, idx=x,y) + write(ioout, h_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%enthalpy, idx=1,nc) + write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%enthalpy, idx=x,y) - write(ioout, u_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%energy, idx=1,nc) - write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%energy, idx=x,y) + write(ioout, u_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%energy, idx=1,nc) + write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%energy, idx=x,y) - write(ioout, g_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%gibbs_energy, idx=1,nc) - write(ioout, "(6(F13.2))") (solutions(i,j,k)%eq_soln(idx)%gibbs_energy, idx=x,y) + write(ioout, g_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%gibbs_energy, idx=1,nc) + write(ioout, "(6(F13.2))") (solutions(i,j,k)%eq_soln(idx)%gibbs_energy, idx=x,y) - write(ioout, s_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%entropy, idx=1,nc) - write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%entropy, idx=x,y) + write(ioout, s_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%entropy, idx=1,nc) + write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%entropy, idx=x,y) - write(ioout, *) "" - write(ioout, thermo_fmt, advance="no") 'M, (1/n) ', & - (1.0/solutions(i, j, k)%eq_soln(idx)%n, idx=1,nc) - write(ioout, ffmt) (1.0/solutions(i, j, k)%eq_soln(idx)%n, idx=x,y) - - if (frozen .eqv. .false.) then - write(ioout, thermo_fmt, advance="no") '(dln(V)/dln(P))t', & - (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnP, idx=1,nc) - write(ioout, ffmt) (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnP, idx=x,y) - - write(ioout, thermo_fmt, advance="no") '(dln(V)/dln(T))p', & - (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnT, idx=1,nc) - write(ioout, ffmt) (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnT, idx=x,y) - end if + write(ioout, *) "" + write(ioout, thermo_fmt, advance="no") 'M, (1/n) ', & + (1.0/solutions(i, j, k)%eq_soln(idx)%n, idx=1,nc) + write(ioout, ffmt) (1.0/solutions(i, j, k)%eq_soln(idx)%n, idx=x,y) + + if (frozen .eqv. .false.) then + write(ioout, thermo_fmt, advance="no") '(dln(V)/dln(P))t', & + (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnP, idx=1,nc) + write(ioout, ffmt) (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnP, idx=x,y) + + write(ioout, thermo_fmt, advance="no") '(dln(V)/dln(T))p', & + (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnT, idx=1,nc) + write(ioout, ffmt) (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnT, idx=x,y) + end if - write(ioout, thermo_fmt, advance="no") 'Cp, kJ/(kg-K) ', & - (solutions(i, j, k)%eq_soln(idx)%cp_eq, idx=1,nc) - write(ioout, ffmt) (solutions(i, j, k)%eq_soln(idx)%cp_eq, idx=x,y) - else - write(ioout, p_fmt, advance="no") (solutions(i,j,k)%pressure(idx)/1.01325d0, idx=1,nc) - write(ioout, ffmt) (solutions(i,j,k)%pressure(idx), idx=x,y) + write(ioout, thermo_fmt, advance="no") 'Cp, kJ/(kg-K) ', & + (solutions(i, j, k)%eq_soln(idx)%cp_eq, idx=1,nc) + write(ioout, ffmt) (solutions(i, j, k)%eq_soln(idx)%cp_eq, idx=x,y) + else + write(ioout, p_fmt, advance="no") (solutions(i,j,k)%pressure(idx)/1.01325d0, idx=1,nc) + write(ioout, ffmt) (solutions(i,j,k)%pressure(idx), idx=x,y) - write(ioout, t_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%T, idx=1,nc) - write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%T, idx=x,y) + write(ioout, t_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%T, idx=1,nc) + write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%T, idx=x,y) - write(ioout, rho_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%density/1.d3, idx=1,nc) - write(ioout, "(6(E13.4e1))") (solutions(i,j,k)%eq_soln(idx)%density, idx=x,y) + write(ioout, rho_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%density/1.d3, idx=1,nc) + write(ioout, "(6(E13.4e1))") (solutions(i,j,k)%eq_soln(idx)%density, idx=x,y) - write(ioout, h_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%enthalpy/4.184d0, idx=1,nc) - write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%enthalpy, idx=x,y) + write(ioout, h_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%enthalpy/4.184d0, idx=1,nc) + write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%enthalpy, idx=x,y) - write(ioout, u_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%energy/4.184d0, idx=1,nc) - write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%energy, idx=x,y) + write(ioout, u_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%energy/4.184d0, idx=1,nc) + write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%energy, idx=x,y) - write(ioout, g_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%gibbs_energy/4.184d0, idx=1,nc) - write(ioout, "(6(F13.2))") (solutions(i,j,k)%eq_soln(idx)%gibbs_energy, idx=x,y) + write(ioout, g_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%gibbs_energy/4.184d0, idx=1,nc) + write(ioout, "(6(F13.2))") (solutions(i,j,k)%eq_soln(idx)%gibbs_energy, idx=x,y) - write(ioout, s_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%entropy/4.184d0, idx=1,nc) - write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%entropy, idx=x,y) + write(ioout, s_fmt, advance="no") (solutions(i,j,k)%eq_soln(idx)%entropy/4.184d0, idx=1,nc) + write(ioout, ffmt) (solutions(i,j,k)%eq_soln(idx)%entropy, idx=x,y) - write(ioout, *) "" - write(ioout, thermo_fmt, advance="no") 'M, (1/n) ', & - (1.0/solutions(i, j, k)%eq_soln(idx)%n, idx=1,nc) - write(ioout, ffmt) (1.0/solutions(i, j, k)%eq_soln(idx)%n, idx=x,y) - - if (frozen .eqv. .false.) then - write(ioout, thermo_fmt, advance="no") '(dln(V)/dln(P))t', & - (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnP, idx=1,nc) - write(ioout, ffmt) (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnP, idx=x,y) - - write(ioout, thermo_fmt, advance="no") '(dln(V)/dln(T))p', & - (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnT, idx=1,nc) - write(ioout, ffmt) (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnT, idx=x,y) - end if + write(ioout, *) "" + write(ioout, thermo_fmt, advance="no") 'M, (1/n) ', & + (1.0/solutions(i, j, k)%eq_soln(idx)%n, idx=1,nc) + write(ioout, ffmt) (1.0/solutions(i, j, k)%eq_soln(idx)%n, idx=x,y) + + if (frozen .eqv. .false.) then + write(ioout, thermo_fmt, advance="no") '(dln(V)/dln(P))t', & + (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnP, idx=1,nc) + write(ioout, ffmt) (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnP, idx=x,y) + + write(ioout, thermo_fmt, advance="no") '(dln(V)/dln(T))p', & + (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnT, idx=1,nc) + write(ioout, ffmt) (solutions(i, j, k)%eq_partials(idx)%dlnV_dlnT, idx=x,y) + end if - write(ioout, thermo_fmt, advance="no") 'Cp, cal/(g-K) ', & - (solutions(i, j, k)%eq_soln(idx)%cp_eq/4.184d0, idx=1,nc) - write(ioout, ffmt) (solutions(i, j, k)%eq_soln(idx)%cp_eq/4.184d0, idx=x,y) - end if + write(ioout, thermo_fmt, advance="no") 'Cp, cal/(g-K) ', & + (solutions(i, j, k)%eq_soln(idx)%cp_eq/4.184d0, idx=1,nc) + write(ioout, ffmt) (solutions(i, j, k)%eq_soln(idx)%cp_eq/4.184d0, idx=x,y) + end if - write(ioout, thermo_fmt, advance="no") 'Gamma_s ', & - (solutions(i, j, k)%eq_partials(idx)%gamma_s, idx=1,nc) - write(ioout, ffmt) (solutions(i, j, k)%eq_partials(idx)%gamma_s, idx=x,y) + write(ioout, thermo_fmt, advance="no") 'Gamma_s ', & + (solutions(i, j, k)%eq_partials(idx)%gamma_s, idx=1,nc) + write(ioout, ffmt) (solutions(i, j, k)%eq_partials(idx)%gamma_s, idx=x,y) - write(ioout, vsonic_fmt, advance="no") 'Son. Vel., m/s ', & - (solutions(i, j, k)%v_sonic(idx), idx=1,nc) - write(ioout, ffmt) (solutions(i, j, k)%v_sonic(idx), idx=x,y) + write(ioout, vsonic_fmt, advance="no") 'Son. Vel., m/s ', & + (solutions(i, j, k)%v_sonic(idx), idx=1,nc) + write(ioout, ffmt) (solutions(i, j, k)%v_sonic(idx), idx=x,y) - write(ioout, thermo_fmt, advance="no") 'Mach ', & - (solutions(i, j, k)%mach(idx), idx=1,nc) - write(ioout, ffmt) (solutions(i, j, k)%mach(idx), idx=x,y) + write(ioout, thermo_fmt, advance="no") 'Mach ', & + (solutions(i, j, k)%mach(idx), idx=1,nc) + write(ioout, ffmt) (solutions(i, j, k)%mach(idx), idx=x,y) + end if ! Write out transport properties if (prob%output%transport) then @@ -3251,34 +3352,52 @@ subroutine rocket_output(ioout, prob, solver, solutions) write(ioout, *) "" write(ioout, '(A)') " PERFORMANCE PARAMETERS" write(ioout, *) "" - perf_label = 'Ae/At ' - write(perf_fmt, '("(",i0,"(F13.4))")') nc-1 - write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' - write(ioout, trim(perf_fmt), advance="no") (solutions(i, j, k)%ae_at(idx), idx=2,nc) - write(ioout, "(5(F13.4))") (solutions(i, j, k)%ae_at(idx), idx=x,y) + if (prob%output%long) then + write(ioout, '(A, *(1X, ES23.15E3))') 'Ae/At ', & + [ (solutions(i,j,k)%ae_at(idx), idx=2,nc), & + (solutions(i,j,k)%ae_at(idx), idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') 'C*, m/s ', & + [ (solutions(i,j,k)%c_star(idx), idx=2,nc), & + (solutions(i,j,k)%c_star(idx), idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') 'Cf ', & + [ (solutions(i,j,k)%cf(idx), idx=2,nc), & + (solutions(i,j,k)%cf(idx), idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') 'Ivac, m/s ', & + [ (solutions(i,j,k)%i_vac(idx), idx=2,nc), & + (solutions(i,j,k)%i_vac(idx), idx=x,y) ] + write(ioout, '(A, *(1X, ES23.15E3))') 'Isp, m/s ', & + [ (solutions(i,j,k)%i_sp(idx), idx=2,nc), & + (solutions(i,j,k)%i_sp(idx), idx=x,y) ] + else + perf_label = 'Ae/At ' + write(perf_fmt, '("(",i0,"(F13.4))")') nc-1 + write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' + write(ioout, trim(perf_fmt), advance="no") (solutions(i, j, k)%ae_at(idx), idx=2,nc) + write(ioout, "(5(F13.4))") (solutions(i, j, k)%ae_at(idx), idx=x,y) - perf_label = 'C*, m/s ' - write(perf_fmt, '("(",i0,"(F13.2))")') nc-1 - write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' - write(ioout, trim(perf_fmt), advance="no") (solutions(i, j, k)%c_star(idx), idx=2,nc) - write(ioout, "(5(F13.2))") (solutions(i, j, k)%c_star(idx), idx=x,y) + perf_label = 'C*, m/s ' + write(perf_fmt, '("(",i0,"(F13.2))")') nc-1 + write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' + write(ioout, trim(perf_fmt), advance="no") (solutions(i, j, k)%c_star(idx), idx=2,nc) + write(ioout, "(5(F13.2))") (solutions(i, j, k)%c_star(idx), idx=x,y) - perf_label = 'Cf ' - write(perf_fmt, '("(",i0,"(F13.4))")') nc-1 - write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' - write(ioout, trim(perf_fmt), advance="no") (solutions(i, j, k)%cf(idx), idx=2,nc) - write(ioout, "(5(F13.4))") (solutions(i, j, k)%cf(idx), idx=x,y) + perf_label = 'Cf ' + write(perf_fmt, '("(",i0,"(F13.4))")') nc-1 + write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' + write(ioout, trim(perf_fmt), advance="no") (solutions(i, j, k)%cf(idx), idx=2,nc) + write(ioout, "(5(F13.4))") (solutions(i, j, k)%cf(idx), idx=x,y) - perf_label = 'Ivac, m/s ' - write(perf_fmt, '("(",i0,"(F13.2))")') nc-1 - write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' - write(ioout, trim(perf_fmt), advance="no") (solutions(i, j, k)%i_vac(idx), idx=2,nc) - write(ioout, "(5(F13.2))") (solutions(i, j, k)%i_vac(idx), idx=x,y) + perf_label = 'Ivac, m/s ' + write(perf_fmt, '("(",i0,"(F13.2))")') nc-1 + write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' + write(ioout, trim(perf_fmt), advance="no") (solutions(i, j, k)%i_vac(idx), idx=2,nc) + write(ioout, "(5(F13.2))") (solutions(i, j, k)%i_vac(idx), idx=x,y) - perf_label = 'Isp, m/s ' - write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' - write(ioout, trim(perf_fmt), advance="no") (solutions(i, j, k)%i_sp(idx), idx=2,nc) - write(ioout, "(5(F13.2))") (solutions(i, j, k)%i_sp(idx), idx=x,y) + perf_label = 'Isp, m/s ' + write(ioout, '(1x,A,1x,A13)', advance='no') perf_label, '' + write(ioout, trim(perf_fmt), advance="no") (solutions(i, j, k)%i_sp(idx), idx=2,nc) + write(ioout, "(5(F13.2))") (solutions(i, j, k)%i_sp(idx), idx=x,y) + end if ! Get the list of trace species num_trace = 0 @@ -3314,28 +3433,56 @@ subroutine rocket_output(ioout, prob, solver, solutions) if (prob%output%mass_fractions) then if (frozen) then if (solutions(i, j, k)%eq_soln(nfrz)%mass_fractions(ii) > trace) then - write(ioout, '(1x, A, T19, F13.5)') & - trim(adjustl(solver%eq_solver%products%species_names(ii))), & - solutions(i, j, k)%eq_soln(nfrz)%mass_fractions(ii) + if (prob%output%long) then + write(ioout, '(1x, A16, *(1X, ES23.15E3))') & + trim(adjustl(solver%eq_solver%products%species_names(ii))), & + solutions(i, j, k)%eq_soln(nfrz)%mass_fractions(ii) + else + write(ioout, '(1x, A, T19, F13.5)') & + trim(adjustl(solver%eq_solver%products%species_names(ii))), & + solutions(i, j, k)%eq_soln(nfrz)%mass_fractions(ii) + end if end if else - write(ioout, '(1x, A, T19, 3(F13.5))', advance="no") & - trim(adjustl(solver%eq_solver%products%species_names(ii))), & - (solutions(i, j, k)%eq_soln(idx)%mass_fractions(ii), idx=1,nc) - write(ioout, '(3(F13.5))') (solutions(i, j, k)%eq_soln(idx)%mass_fractions(ii), idx=x,y) + if (prob%output%long) then + write(ioout, '(1x, A16, *(1X, ES23.15E3))') & + trim(adjustl(solver%eq_solver%products%species_names(ii))), & + [ (solutions(i, j, k)%eq_soln(idx)%mass_fractions(ii), idx=1,nc), & + (solutions(i, j, k)%eq_soln(idx)%mass_fractions(ii), idx=x,y) ] + else + write(ioout, '(1x, A, T19, 3(F13.5))', advance="no") & + trim(adjustl(solver%eq_solver%products%species_names(ii))), & + (solutions(i, j, k)%eq_soln(idx)%mass_fractions(ii), idx=1,nc) + write(ioout, '(3(F13.5))') & + (solutions(i, j, k)%eq_soln(idx)%mass_fractions(ii), idx=x,y) + end if end if else if (frozen) then if (solutions(i, j, k)%eq_soln(nfrz)%mole_fractions(ii) > trace) then - write(ioout, '(1x, A, T19, F13.5)') & - trim(adjustl(solver%eq_solver%products%species_names(ii))), & - solutions(i, j, k)%eq_soln(nfrz)%mole_fractions(ii) + if (prob%output%long) then + write(ioout, '(1x, A16, *(1X, ES23.15E3))') & + trim(adjustl(solver%eq_solver%products%species_names(ii))), & + solutions(i, j, k)%eq_soln(nfrz)%mole_fractions(ii) + else + write(ioout, '(1x, A, T19, F13.5)') & + trim(adjustl(solver%eq_solver%products%species_names(ii))), & + solutions(i, j, k)%eq_soln(nfrz)%mole_fractions(ii) + end if end if else - write(ioout, '(1x, A, T19, 3(F13.5))', advance="no") & - trim(adjustl(solver%eq_solver%products%species_names(ii))), & - (solutions(i, j, k)%eq_soln(idx)%mole_fractions(ii), idx=1,nc) - write(ioout, '(3(F13.5))') (solutions(i, j, k)%eq_soln(idx)%mole_fractions(ii), idx=x,y) + if (prob%output%long) then + write(ioout, '(1x, A16, *(1X, ES23.15E3))') & + trim(adjustl(solver%eq_solver%products%species_names(ii))), & + [ (solutions(i, j, k)%eq_soln(idx)%mole_fractions(ii), idx=1,nc), & + (solutions(i, j, k)%eq_soln(idx)%mole_fractions(ii), idx=x,y) ] + else + write(ioout, '(1x, A, T19, 3(F13.5))', advance="no") & + trim(adjustl(solver%eq_solver%products%species_names(ii))), & + (solutions(i, j, k)%eq_soln(idx)%mole_fractions(ii), idx=1,nc) + write(ioout, '(3(F13.5))') & + (solutions(i, j, k)%eq_soln(idx)%mole_fractions(ii), idx=x,y) + end if end if end if end if diff --git a/test/main_interface/reference_output/example7.out b/test/main_interface/reference_output/example7.out index 109f535..53c1a3a 100644 --- a/test/main_interface/reference_output/example7.out +++ b/test/main_interface/reference_output/example7.out @@ -31,9 +31,8 @@ name= O2 moles= 0.050 t(k) 300.00 name= Ar moles= 0.900 t(k) 300.00 - problem case=7 p,bar=0.1, shock u1=1400, + problem case=7 p,mmhg=10, shock u1=1100,1200,1250,1300,1350,1400, incd refl eql - output long end @@ -43,7 +42,7 @@ TRACE= 0.00E+00 S/R= 0.000000E+00 H/R= 0.000000E+00 U/R= 0.000000E+00 - P,BAR = 0.100000 + P,BAR = 0.013332 REACTANT MOLES (ENERGY/R),K TEMP,K DENSITY EXPLODED FORMULA @@ -68,9 +67,11 @@ INCDEQ = T REFLEQ = T INCDFZ = F REFLFZ = F - U1 = 1.400000E+03 + U1 = 1.100000E+03 1.200000E+03 1.250000E+03 1.300000E+03 1.350000E+03 + 1.400000E+03 - MACH1 = 0.000000E+00 + MACH1 = 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 0.000000E+00 + 0.000000E+00 O/F = 0.000000 @@ -102,55 +103,55 @@ O/F= 0.000000000000000E+00 %FUEL= 0.000000000000000E+00 R,EQ.RATIO= 0.500000000000000E+00 PHI,EQ.RATIO= 0.000000000000000E+00 INITIAL GAS (1) - MACH NUMBER1 0.426715654966385E+01 - U1, M/SEC 0.140000000000000E+04 - P, BAR 0.100000000000000E+00 - T, K 0.300000000000000E+03 - RHO, KG/CU M 0.150956717032433E+00 - H, KJ/KG 0.106217379566272E+01 - U, KJ/KG -0.651819801352386E+02 - G, KJ/KG -0.142278379630548E+04 - S, KJ/(KG)(K) 0.474615323367047E+01 - - M, (1/n) 0.376539340000000E+02 - Cp, KJ/(KG)(K) 0.574162546713278E+00 - GAMMAs 0.162491766989173E+01 - SON VEL,M/SEC 0.328087330217656E+03 + MACH NUMBER1 0.335276586045017E+01 0.365756275685473E+01 0.380996120505701E+01 0.396235965325929E+01 0.411475810146157E+01 0.426715654966385E+01 + U1, M/SEC 0.110000000000000E+04 0.120000000000000E+04 0.125000000000000E+04 0.130000000000000E+04 0.135000000000000E+04 0.140000000000000E+04 + P, BAR 0.133322368421053E-01 0.133322368421053E-01 0.133322368421053E-01 0.133322368421053E-01 0.133322368421053E-01 0.133322368421053E-01 + T, K 0.300000000000000E+03 0.300000000000000E+03 0.300000000000000E+03 0.300000000000000E+03 0.300000000000000E+03 0.300000000000000E+03 + RHO, KG/CU M 0.201259070438306E-01 0.201259070438306E-01 0.201259070438306E-01 0.201259070438306E-01 0.201259070438306E-01 0.201259070438306E-01 + H, KJ/KG 0.106217379566272E+01 0.106217379566272E+01 0.106217379566272E+01 0.106217379566272E+01 0.106217379566272E+01 0.106217379566272E+01 + U, KJ/KG -0.651819801352386E+02 -0.651819801352386E+02 -0.651819801352386E+02 -0.651819801352386E+02 -0.651819801352386E+02 -0.651819801352386E+02 + G, KJ/KG -0.155626479008816E+04 -0.155626479008816E+04 -0.155626479008816E+04 -0.155626479008816E+04 -0.155626479008816E+04 -0.155626479008816E+04 + S, KJ/(KG)(K) 0.519108987961274E+01 0.519108987961274E+01 0.519108987961274E+01 0.519108987961274E+01 0.519108987961274E+01 0.519108987961274E+01 + + M, (1/n) 0.376539340000000E+02 0.376539340000000E+02 0.376539340000000E+02 0.376539340000000E+02 0.376539340000000E+02 0.376539340000000E+02 + Cp, KJ/(KG)(K) 0.574162546713278E+00 0.574162546713278E+00 0.574162546713278E+00 0.574162546713278E+00 0.574162546713278E+00 0.574162546713278E+00 + GAMMAs 0.162491766989173E+01 0.162491766989173E+01 0.162491766989173E+01 0.162491766989173E+01 0.162491766989173E+01 0.162491766989173E+01 + SON VEL,M/SEC 0.328087330217656E+03 0.328087330217656E+03 0.328087330217656E+03 0.328087330217656E+03 0.328087330217656E+03 0.328087330217656E+03 SHOCKED GAS (2)--INCIDENT--EQUILIBRIUM - U2, M/SEC 0.537129571785348E+03 - P, BAR 0.192358522798536E+01 - T, K 0.226818398404650E+04 - RHO, KG/CU M 0.393460749410876E+00 - H, KJ/KG 0.836808100374360E+03 - U, KJ/KG 0.347919378725373E+03 - G, KJ/KG -0.109304355036229E+05 - S, KJ/(KG)(K) 0.518795815805217E+01 - - M, (1/n) 0.385749099582107E+02 - (dLV/dLP)t -0.100043238870357E+01 - (dLV/dLT)p 0.101261186376503E+01 - Cp, KJ/(KG)(K) 0.674022112158360E+00 - GAMMAs 0.148692090850231E+01 - SON VEL,M/SEC 0.852607097173630E+03 - - P2/P1 0.192358522798536E+02 - T2/T1 0.756061328015499E+01 - M2/M1 0.102445895714936E+01 - RHO2/RHO1 0.260644744497419E+01 - V2, M/SEC 0.862870428214652E+03 + U2, M/SEC 0.666379452696336E+03 0.575193168937515E+03 0.558800583304756E+03 0.546820419445397E+03 0.536923683699116E+03 0.527832521957986E+03 + P, BAR 0.109329710356591E+00 0.164232583375059E+00 0.187220266740583E+00 0.210391761126373E+00 0.234244867370495E+00 0.259076500873526E+00 + T, K 0.152851641655209E+04 0.181642547576685E+04 0.193078525329945E+04 0.204081934943302E+04 0.214713821048926E+04 0.224906016662328E+04 + RHO, KG/CU M 0.332220593816869E-01 0.419877873327462E-01 0.450203248822810E-01 0.478469315090973E-01 0.506030472002739E-01 0.533810795834320E-01 + H, KJ/KG 0.384032539678090E+03 0.555644143452581E+03 0.626183886582275E+03 0.696556037496050E+03 0.768168721538252E+03 0.841758639047944E+03 + U, KJ/KG 0.549448419513890E+02 0.164500447135498E+03 0.210326677132709E+03 0.256837638655008E+03 0.305262077905875E+03 0.356424691335998E+03 + G, KJ/KG -0.812178475029325E+04 -0.957992714768262E+04 -0.101657421839402E+05 -0.107314220584862E+05 -0.112788929030413E+05 -0.118035727524884E+05 + S, KJ/(KG)(K) 0.556475363814416E+01 0.557995438092842E+01 0.558939739781033E+01 0.559970097263002E+01 0.561075275253678E+01 0.562249582256484E+01 + + M, (1/n) 0.386184750094820E+02 0.386116098117433E+02 0.386034747784209E+02 0.385892719835642E+02 0.385658801144206E+02 0.385298274191395E+02 + (dLV/dLP)t -0.100000684954522E+01 -0.100006614743249E+01 -0.100014504113649E+01 -0.100029351643161E+01 -0.100055437765428E+01 -0.100097772419851E+01 + (dLV/dLT)p 0.100033047796007E+01 0.100253169236253E+01 0.100509157680863E+01 0.100952365741579E+01 0.101674681878476E+01 0.102770207577244E+01 + Cp, KJ/(KG)(K) 0.587844736929428E+00 0.609629685643267E+00 0.628983292570696E+00 0.658793684658791E+00 0.703052784746757E+00 0.765167063436717E+00 + GAMMAs 0.157849792657880E+01 0.155026891208174E+01 0.152853857812505E+01 0.149929657934718E+01 0.146295993450866E+01 0.142224472341977E+01 + SON VEL,M/SEC 0.720738682550194E+03 0.778702711281471E+03 0.797278989836738E+03 0.811953379978428E+03 0.822930053559868E+03 0.830821067516827E+03 + + P2/P1 0.820040265196238E+01 0.123184567841150E+02 0.140426748307765E+02 0.157806798377541E+02 0.175698099384729E+02 0.194323356194305E+02 + T2/T1 0.509505472184032E+01 0.605475158588949E+01 0.643595084433151E+01 0.680273116477673E+01 0.715712736829753E+01 0.749686722207760E+01 + M2/M1 0.102561594253291E+01 0.102543361901424E+01 0.102521757164659E+01 0.102484037879187E+01 0.102421914571849E+01 0.102326167085594E+01 + RHO2/RHO1 0.165071116095961E+01 0.208625565254298E+01 0.223693395702538E+01 0.237738013024185E+01 0.251432380613056E+01 0.265235646111142E+01 + V2, M/SEC 0.433620547303664E+03 0.624806831062485E+03 0.691199416695244E+03 0.753179580554603E+03 0.813076316300884E+03 0.872167478042014E+03 MOLE FRACTIONS - *Ar 0.922013061434422E+00 - *H 0.116657933001448E-03 - HO2 0.127766340355674E-05 - *H2 0.389121788358003E-03 - H2O 0.495019081036036E-01 - H2O2 0.445949968451753E-07 - *O 0.468702725285454E-03 - *OH 0.254581114461325E-02 - *O2 0.249634146123161E-01 + *Ar 0.923054348279624E+00 0.922890257112786E+00 0.922695814481927E+00 0.922356333724643E+00 0.921797231146642E+00 0.920935503770351E+00 + *H 0.121674376642685E-06 0.712093702503885E-05 0.256151151373619E-04 0.764065425932129E-04 0.196328023746394E-03 0.442478093515588E-03 + HO2 0.211038393346794E-07 0.122116122401801E-06 0.211469165813689E-06 0.337385499795755E-06 0.504123358859079E-06 0.710977734113084E-06 + *H2 0.265925461212087E-05 0.492788529790181E-04 0.123082362312624E-03 0.268160984035107E-03 0.523340424085880E-03 0.925900573632344E-03 + H2O 0.512348565034541E-01 0.509301346376353E-01 0.506025383335508E-01 0.500713722709336E-01 0.492592465649533E-01 0.480954845184156E-01 + H2O2 0.668411243728122E-09 0.316437968316364E-08 0.515050201443908E-08 0.779312318424801E-08 0.111128979027864E-07 0.150234519254303E-07 + *O 0.287086708617358E-05 0.558977882093698E-04 0.141991394401265E-03 0.314545917275079E-03 0.625153453379173E-03 0.113040573764612E-02 + *OH 0.864199589422618E-04 0.577291867108458E-03 0.104468918863229E-02 0.172822664248533E-02 0.265988622086995E-02 0.384017778334525E-02 + *O2 0.256187023580653E-01 0.254898966881343E-01 0.253660576548727E-01 0.251846087394114E-01 0.249382989300669E-01 0.246293235219081E-01 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K @@ -160,47 +161,46 @@ O3 H2O(cr) H2O(L) SHOCKED GAS (5)--REFLECTED--EQUILIBRIUM - U5, M/SEC 0.353461934123471E+03 - P, BAR 0.688575880096002E+01 - T, K 0.325328812229202E+04 - RHO, KG/CU M 0.960515440429929E+00 - H, KJ/KG 0.172569707921101E+04 - U, KJ/KG 0.100881544346365E+04 - G, KJ/KG -0.152904010352186E+05 - S, KJ/(KG)(K) 0.523043071341659E+01 - - M, (1/n) 0.377321656419317E+02 - (dLV/dLP)t -0.101015380362947E+01 - (dLV/dLT)p 0.118737820096711E+01 - Cp, KJ/(KG)(K) 0.136906486418611E+01 - GAMMAs 0.127676330974167E+01 - SON VEL,M/SEC 0.956706940473320E+03 - - P5/P2 0.357964840901369E+01 - T5/T2 0.143431403500525E+01 - M5/M2 0.978153045147947E+00 - RHO5/RHO2 0.244119760832077E+01 - U5+V2,M/SEC 0.509408494091181E+03 + U5, M/SEC 0.252706688861823E+03 0.303739673778902E+03 0.315747943399695E+03 0.325157471630061E+03 0.333057666096359E+03 0.340105401400875E+03 + P, BAR 0.259037997692558E+00 0.483213286145203E+00 0.583192646139627E+00 0.688011047248230E+00 0.800891992753856E+00 0.924693868487130E+00 + T, K 0.210837570663106E+04 0.257681635491081E+04 0.271219748505766E+04 0.282942964731789E+04 0.293680660229445E+04 0.303944616603351E+04 + RHO, KG/CU M 0.570058815479902E-01 0.863708583745800E-01 0.985533649499396E-01 0.110830397420014E+00 0.123534580943394E+00 0.136890626740050E+00 + H, KJ/KG 0.740707113212658E+03 0.112015112402005E+04 0.126684706441568E+04 0.141124818566541E+04 0.155741859592499E+04 0.170833715247533E+04 + U, KJ/KG 0.286301373561939E+03 0.560687787382167E+03 0.675093909730541E+03 0.790469894452687E+03 0.909104588108152E+03 0.103283884371012E+04 + G, KJ/KG -0.110159334373854E+05 -0.133172881568086E+05 -0.139685018254780E+05 -0.145277419686680E+05 -0.150371437424383E+05 -0.155229298635424E+05 + S, KJ/(KG)(K) 0.557616012820780E+01 0.560282041570960E+01 0.561734496615013E+01 0.563328731974038E+01 0.565054652403682E+01 0.566921276928048E+01 + + M, (1/n) 0.385781018303502E+02 0.382955663901476E+02 0.381081079719558E+02 0.378964944971953E+02 0.376640139938820E+02 0.374116488731746E+02 + (dLV/dLP)t -0.100041489631977E+01 -0.100387209503661E+01 -0.100617491040479E+01 -0.100866153532762E+01 -0.101121062310206E+01 -0.101372274771044E+01 + (dLV/dLT)p 0.101289426601925E+01 0.109219534237793E+01 0.113799141687921E+01 0.118389462216855E+01 0.122768682394660E+01 0.126766911852499E+01 + Cp, KJ/(KG)(K) 0.679617466675379E+00 0.107816994099595E+01 0.127672403859358E+01 0.146233989831121E+01 0.162798854564943E+01 0.176858393758422E+01 + GAMMAs 0.148135334235057E+01 0.130948964443424E+01 0.127410392449690E+01 0.125254720968700E+01 0.123941425991487E+01 0.123185216602227E+01 + SON VEL,M/SEC 0.820448329399771E+03 0.855927243267750E+03 0.868305831327741E+03 0.881790290541212E+03 0.896398140443604E+03 0.912202858358165E+03 + + P5/P2 0.236932849129187E+01 0.294224980338820E+01 0.311500809336905E+01 0.327014253583330E+01 0.341903753001819E+01 0.356919236352718E+01 + T5/T2 0.137936085199985E+01 0.141861936494969E+01 0.140471214000774E+01 0.138641847359198E+01 0.136777715935913E+01 0.135142945979827E+01 + M5/M2 0.998954563091320E+00 0.991814808469871E+00 0.987167818200087E+00 0.982047407200014E+00 0.976614921846389E+00 0.970978885168599E+00 + RHO5/RHO2 0.171590451070633E+01 0.205704715254713E+01 0.218908604519485E+01 0.231635329423250E+01 0.244124786506385E+01 0.256440348918190E+01 + U5+V2,M/SEC 0.180913858441841E+03 0.321067157283583E+03 0.375451473295549E+03 0.428022108924542E+03 0.480018650204525E+03 0.532062076641139E+03 MOLE FRACTIONS - *Ar 0.901869883708218E+00 - *H 0.107052676559523E-01 - HO2 0.994419094318345E-05 - *H2 0.750371707030685E-02 - H2O 0.285366863365448E-01 - H2O2 0.264932134388455E-06 - *O 0.136866131553129E-01 - *OH 0.174112163316822E-01 - *O2 0.202763890699008E-01 - O3 0.175490041885985E-07 + *Ar 0.922089353195207E+00 0.915336223597051E+00 0.910855614044471E+00 0.905797653107789E+00 0.900240930846639E+00 0.894208928763096E+00 + *H 0.126936589582451E-03 0.290627788089580E-02 0.549455363299005E-02 0.880634683163078E-02 0.127933434284003E-01 0.174421255088238E-01 + HO2 0.453911127803131E-06 0.184607670909982E-05 0.243852507275060E-05 0.296748824961399E-05 0.342045413897419E-05 0.378127900690940E-05 + *H2 0.386413449944258E-03 0.333988914405571E-02 0.495852067783241E-02 0.647156002960447E-02 0.778973765179911E-02 0.885477730802492E-02 + H2O 0.496719325851410E-01 0.415751013374367E-01 0.370801738068542E-01 0.324996244543706E-01 0.279554248879501E-01 0.235209846460026E-01 + H2O2 0.105404728223733E-07 0.367836935518799E-07 0.460000204991162E-07 0.528607542597214E-07 0.572471749852400E-07 0.590310902097129E-07 + *O 0.458019442726303E-03 0.459024621830192E-02 0.746456393348201E-02 0.108126772596326E-01 0.146302145031745E-01 0.189518056714352E-01 + *OH 0.221026892541939E-02 0.896584635614029E-02 0.116317062108004E-01 0.138923946693053E-01 0.157395666534796E-01 0.171589988823138E-01 + *O2 0.250566113603791E-01 0.232845326057159E-01 0.225123831684764E-01 0.217167232986639E-01 0.208473043272432E-01 0.198585389102066E-01 * THERMODYNAMIC PROPERTIES FITTED TO 20000.K PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS WERE LESS THAN 5.000000E-09 FOR ALL ASSIGNED CONDITIONS - H2O(cr) H2O(L) + O3 H2O(cr) H2O(L) From 55ed571fe6fc56004c14e8614d3553bd7f303799 Mon Sep 17 00:00:00 2001 From: Mark Leader Date: Wed, 20 May 2026 14:33:04 -0400 Subject: [PATCH 3/5] switched example2 to use long formatting --- test/main_interface/example2.inp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test/main_interface/example2.inp b/test/main_interface/example2.inp index 729a7fd..0d24619 100644 --- a/test/main_interface/example2.inp +++ b/test/main_interface/example2.inp @@ -15,5 +15,5 @@ prob case=Example-2 phi,eq.ratio=1, tv t(k)=3000 rho,g/cc=9.1864d-05,8.0877d-06,6.6054d-07 only Ar C CO CO2 H H2 H2O HNO HO2 HNO2 HNO3 N NH NO N2 N2O3 O O2 OH O3 - outp transport calories + outp transport calories long end \ No newline at end of file From 8662b66097a5d26389fbaa41df2b9eee4e439241 Mon Sep 17 00:00:00 2001 From: Mark Leader Date: Wed, 20 May 2026 14:53:08 -0400 Subject: [PATCH 4/5] updated docs --- docs/source/developer_guide.rst | 5 +++-- docs/source/installation.rst | 7 +------ 2 files changed, 4 insertions(+), 8 deletions(-) diff --git a/docs/source/developer_guide.rst b/docs/source/developer_guide.rst index 81e70e8..55f0a81 100644 --- a/docs/source/developer_guide.rst +++ b/docs/source/developer_guide.rst @@ -151,8 +151,9 @@ whenever you modify solver behavior. * **Integration harness** – ``test/main_interface/test_main.py`` re-runs the original RP‑1311 problems and compares the generated ``*.out`` files against - reference outputs. Ensure the ``cea`` executable is on ``PATH`` or adjust the - ``run_dir`` variable near the top of the script before running:: + reference outputs. Ensure the ``cea`` executable is on ``PATH``, set + ``CEA_EXE`` or ``CEA_RUN_DIR``, or build ``build*/source/cea`` in this + checkout before running:: python test/main_interface/test_main.py diff --git a/docs/source/installation.rst b/docs/source/installation.rst index d27c1d1..22d2c31 100644 --- a/docs/source/installation.rst +++ b/docs/source/installation.rst @@ -271,12 +271,7 @@ Validation checks: cd build-intel\source python ..\..\test\main_interface\test_main.py - Expected result for this check is 13 out of 14 passing, with a small error on - example 11:: - - Reference | Test | Rel. Error - -------------------------------------------------------------- - F- : 2.5000e-04 | 2.6000e-04 | 4.000% + Expected result for this check is 14/14 passing. * Python binding tests (from the CEA root):: From 0676b0aab9da00307023e489a249261f823fe6d3 Mon Sep 17 00:00:00 2001 From: Mark Leader Date: Wed, 20 May 2026 15:19:40 -0400 Subject: [PATCH 5/5] fixed line length CI failures --- AGENTS.md | 2 + source/main.f90 | 154 ++++++++++++++++++++++++++++++++---------------- 2 files changed, 105 insertions(+), 51 deletions(-) diff --git a/AGENTS.md b/AGENTS.md index c80dee8..ca20c80 100644 --- a/AGENTS.md +++ b/AGENTS.md @@ -9,6 +9,8 @@ This repository is a scientific computing library (CEA). Follow these rules: - Keep changes small and focused; avoid drive-by formatting or whitespace churn. - In Fortran source files, keep lines within the default free-form GNU limit (target `<= 132` characters) so CI builds that do not pass `-ffree-line-length-none` do not fail. +- Before finishing Fortran edits, check touched files for overlong lines with + `rg -n '.{133,}' path/to/file.f90`. - Maintain backward compatibility for the legacy user base. - If numerical behavior might change, call it out and add validation or tests when possible. - Respect layer boundaries: Fortran core in `source/`, C bindings in `source/bind/c/`, diff --git a/source/main.f90 b/source/main.f90 index 9f30c2e..2dfcb57 100644 --- a/source/main.f90 +++ b/source/main.f90 @@ -1217,8 +1217,10 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) end if if (write_incd_eql) then if (prob%output%long) then - write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(P))t ", (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnP, i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(T))p ", (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnT, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(P))t ", & + (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnP, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(T))p ", & + (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnT, i=1,m) else write(ioout, '(A, 14F9.3)') "(dln(V)/dln(P))t ", (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnP, i=1,m) write(ioout, '(A, 14F9.3)') "(dln(V)/dln(T))p ", (solutions(i, 1, k)%eq_partials(2)%dlnV_dlnT, i=1,m) @@ -1353,8 +1355,10 @@ subroutine shock_output(ioout, prob, solver, solutions, branch_codes) end if if (write_refl_eql) then if (prob%output%long) then - write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(P))t ", (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnP, i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(T))p ", (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnT, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(P))t ", & + (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnP, i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') "(dln(V)/dln(T))p ", & + (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnT, i=1,m) else write(ioout, '(A, 14F9.3)') "(dln(V)/dln(P))t ", (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnP, i=1,m) write(ioout, '(A, 14F9.3)') "(dln(V)/dln(T))p ", (solutions(i, 1, k)%eq_partials(3)%dlnV_dlnT, i=1,m) @@ -1586,36 +1590,60 @@ subroutine deton_output(ioout, prob, solver, solutions) if (prob%output%long) then if (prob%output%siunit) then - write(ioout, '(A, *(1X, ES23.15E3))') ' P, bar ', ((solutions(i, j, k)%pressure, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' T, K ', ((solutions(i, j, k)%eq_soln%T, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' Density, kg/m^3 ', ((solutions(i, j, k)%eq_soln%density, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' H, kJ/kg ', ((solutions(i, j, k)%eq_soln%enthalpy, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' U, kJ/kg ', ((solutions(i, j, k)%eq_soln%energy, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' G, kJ/kg ', ((solutions(i, j, k)%eq_soln%gibbs_energy, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' S, kJ/kg-K ', ((solutions(i, j, k)%eq_soln%entropy, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' P, bar ', & + ((solutions(i, j, k)%pressure, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' T, K ', & + ((solutions(i, j, k)%eq_soln%T, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Density, kg/m^3 ', & + ((solutions(i, j, k)%eq_soln%density, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' H, kJ/kg ', & + ((solutions(i, j, k)%eq_soln%enthalpy, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' U, kJ/kg ', & + ((solutions(i, j, k)%eq_soln%energy, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' G, kJ/kg ', & + ((solutions(i, j, k)%eq_soln%gibbs_energy, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' S, kJ/kg-K ', & + ((solutions(i, j, k)%eq_soln%entropy, j=1,n), i=1,m) write(ioout, *) "" - write(ioout, '(A, *(1X, ES23.15E3))') ' M, (1/n) ', ((1.0d0/solutions(i, j, k)%eq_soln%n, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(P))t', ((solutions(i, j, k)%eq_partials%dlnV_dlnP, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(T))p', ((solutions(i, j, k)%eq_partials%dlnV_dlnT, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' Cp, kJ/kg-K ', ((solutions(i, j, k)%eq_soln%cp_eq, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' Gamma_s ', ((solutions(i, j, k)%eq_partials%gamma_s, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' M, (1/n) ', & + ((1.0d0/solutions(i, j, k)%eq_soln%n, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(P))t', & + ((solutions(i, j, k)%eq_partials%dlnV_dlnP, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(T))p', & + ((solutions(i, j, k)%eq_partials%dlnV_dlnT, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Cp, kJ/kg-K ', & + ((solutions(i, j, k)%eq_soln%cp_eq, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Gamma_s ', & + ((solutions(i, j, k)%eq_partials%gamma_s, j=1,n), i=1,m) write(ioout, '(A, *(1X, ES23.15E3))') ' Son. Vel., m/s ', & ((sqrt(solutions(i, j, k)%eq_soln%n*R*solutions(i, j, k)%eq_partials%gamma_s* & solutions(i, j, k)%eq_soln%T), j=1,n), i=1,m) else - write(ioout, '(A, *(1X, ES23.15E3))') ' P, atm ', ((solutions(i, j, k)%pressure/1.01325d0, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' T, K ', ((solutions(i, j, k)%eq_soln%T, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' Density, g/cc ', ((solutions(i, j, k)%eq_soln%density/1.d3, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' H, cal/g ', ((solutions(i, j, k)%eq_soln%enthalpy/4.184d0, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' U, cal/g ', ((solutions(i, j, k)%eq_soln%energy/4.184d0, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' G, cal/g ', ((solutions(i, j, k)%eq_soln%gibbs_energy/4.184d0, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' S, cal/g-K ', ((solutions(i, j, k)%eq_soln%entropy/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' P, atm ', & + ((solutions(i, j, k)%pressure/1.01325d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' T, K ', & + ((solutions(i, j, k)%eq_soln%T, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Density, g/cc ', & + ((solutions(i, j, k)%eq_soln%density/1.d3, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' H, cal/g ', & + ((solutions(i, j, k)%eq_soln%enthalpy/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' U, cal/g ', & + ((solutions(i, j, k)%eq_soln%energy/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' G, cal/g ', & + ((solutions(i, j, k)%eq_soln%gibbs_energy/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' S, cal/g-K ', & + ((solutions(i, j, k)%eq_soln%entropy/4.184d0, j=1,n), i=1,m) write(ioout, *) "" - write(ioout, '(A, *(1X, ES23.15E3))') ' M, (1/n) ', ((1.0d0/solutions(i, j, k)%eq_soln%n, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(P))t', ((solutions(i, j, k)%eq_partials%dlnV_dlnP, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(T))p', ((solutions(i, j, k)%eq_partials%dlnV_dlnT, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' Cp, cal/g-K ', ((solutions(i, j, k)%eq_soln%cp_eq/4.184d0, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') ' Gamma_s ', ((solutions(i, j, k)%eq_partials%gamma_s, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' M, (1/n) ', & + ((1.0d0/solutions(i, j, k)%eq_soln%n, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(P))t', & + ((solutions(i, j, k)%eq_partials%dlnV_dlnP, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' (dln(V)/dln(T))p', & + ((solutions(i, j, k)%eq_partials%dlnV_dlnT, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Cp, cal/g-K ', & + ((solutions(i, j, k)%eq_soln%cp_eq/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') ' Gamma_s ', & + ((solutions(i, j, k)%eq_partials%gamma_s, j=1,n), i=1,m) write(ioout, '(A, *(1X, ES23.15E3))') ' Son. Vel., m/s ', & ((sqrt(solutions(i, j, k)%eq_soln%n*R*solutions(i, j, k)%eq_partials%gamma_s* & solutions(i, j, k)%eq_soln%T), j=1,n), i=1,m) @@ -1698,7 +1726,8 @@ subroutine deton_output(ioout, prob, solver, solutions) ! Viscosity if (prob%output%long) then - write(ioout, '(A, *(1X, ES23.15E3))') " Visc, Millipoise", ((solutions(i, j, k)%eq_soln%viscosity, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Visc, Millipoise", & + ((solutions(i, j, k)%eq_soln%viscosity, j=1,n), i=1,m) else write(ioout, '(A, 14F9.4)') " Visc, Millipoise", ((solutions(i, j, k)%eq_soln%viscosity, j=1,n), i=1,m) end if @@ -1708,18 +1737,23 @@ subroutine deton_output(ioout, prob, solver, solutions) write(ioout, '(A)') " WITH EQUILIBRIUM REACTIONS" if (prob%output%long) then if (prob%output%siunit) then - write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/kg-K ", ((solutions(i, j, k)%eq_soln%cp_eq, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", ((solutions(i, j, k)%eq_soln%conductivity_eq, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/kg-K ", & + ((solutions(i, j, k)%eq_soln%cp_eq, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + ((solutions(i, j, k)%eq_soln%conductivity_eq, j=1,n), i=1,m) else - write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/g-K ", ((solutions(i, j, k)%eq_soln%cp_eq/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/g-K ", & + ((solutions(i, j, k)%eq_soln%cp_eq/4.184d0, j=1,n), i=1,m) write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & ((solutions(i, j, k)%eq_soln%conductivity_eq/4.184d0, j=1,n), i=1,m) end if - write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", ((solutions(i, j, k)%eq_soln%Pr_eq, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", & + ((solutions(i, j, k)%eq_soln%Pr_eq, j=1,n), i=1,m) else if (prob%output%siunit) then write(ioout, '(A, 14F9.4)') " Cp, kJ/kg-K ", ((solutions(i, j, k)%eq_soln%cp_eq, j=1,n), i=1,m) - write(ioout, '(A, 14F9.4)') " Conductivity ", ((solutions(i, j, k)%eq_soln%conductivity_eq, j=1,n), i=1,m) + write(ioout, '(A, 14F9.4)') " Conductivity ", & + ((solutions(i, j, k)%eq_soln%conductivity_eq, j=1,n), i=1,m) else write(ioout, '(A, 14F9.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%eq_soln%cp_eq/4.184d0, j=1,n), i=1,m) write(ioout, '(A, 14F9.4)') " Conductivity ", & @@ -1733,18 +1767,23 @@ subroutine deton_output(ioout, prob, solver, solutions) write(ioout, '(A)') " WITH FROZEN REACTIONS" if (prob%output%long) then if (prob%output%siunit) then - write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/kg-K ", ((solutions(i, j, k)%eq_soln%cp_fr, j=1,n), i=1,m) - write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", ((solutions(i, j, k)%eq_soln%conductivity_fr, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/kg-K ", & + ((solutions(i, j, k)%eq_soln%cp_fr, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & + ((solutions(i, j, k)%eq_soln%conductivity_fr, j=1,n), i=1,m) else - write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/g-K ", ((solutions(i, j, k)%eq_soln%cp_fr/4.184d0, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/g-K ", & + ((solutions(i, j, k)%eq_soln%cp_fr/4.184d0, j=1,n), i=1,m) write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & ((solutions(i, j, k)%eq_soln%conductivity_fr/4.184d0, j=1,n), i=1,m) end if - write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", ((solutions(i, j, k)%eq_soln%Pr_fr, j=1,n), i=1,m) + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", & + ((solutions(i, j, k)%eq_soln%Pr_fr, j=1,n), i=1,m) else if (prob%output%siunit) then write(ioout, '(A, 14F9.4)') " Cp, kJ/kg-K ", ((solutions(i, j, k)%eq_soln%cp_fr, j=1,n), i=1,m) - write(ioout, '(A, 14F9.4)') " Conductivity ", ((solutions(i, j, k)%eq_soln%conductivity_fr, j=1,n), i=1,m) + write(ioout, '(A, 14F9.4)') " Conductivity ", & + ((solutions(i, j, k)%eq_soln%conductivity_fr, j=1,n), i=1,m) else write(ioout, '(A, 14F9.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%eq_soln%cp_fr/4.184d0, j=1,n), i=1,m) write(ioout, '(A, 14F9.4)') " Conductivity ", & @@ -2349,7 +2388,8 @@ subroutine thermo_output(ioout, prob, solver, solutions, partials) write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_eq, i=1,m), j=1,n) else write(ioout, '(A, 18F14.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%cp_eq/4.184d0, i=1,m), j=1,n) - write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_eq/4.184d0, i=1,m), j=1,n) + write(ioout, '(A, 18F14.4)') " Conductivity ", & + ((solutions(i, j, k)%conductivity_eq/4.184d0, i=1,m), j=1,n) end if write(ioout, '(A, 18F14.4)') " Prandtl Number ", ((solutions(i, j, k)%Pr_eq, i=1,m), j=1,n) end if @@ -2377,7 +2417,8 @@ subroutine thermo_output(ioout, prob, solver, solutions, partials) write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_fr, i=1,m), j=1,n) else write(ioout, '(A, 18F14.4)') " Cp, cal/g-K ", ((solutions(i, j, k)%cp_fr/4.184d0, i=1,m), j=1,n) - write(ioout, '(A, 18F14.4)') " Conductivity ", ((solutions(i, j, k)%conductivity_fr/4.184d0, i=1,m), j=1,n) + write(ioout, '(A, 18F14.4)') " Conductivity ", & + ((solutions(i, j, k)%conductivity_fr/4.184d0, i=1,m), j=1,n) end if write(ioout, '(A, 18F14.4)') " Prandtl Number ", ((solutions(i, j, k)%Pr_fr, i=1,m), j=1,n) end if @@ -2719,7 +2760,9 @@ subroutine rocket_output(ioout, prob, solver, solutions) call write_long_ratio_line(ioout, of_ratio, pct_fuel, r_eq, phi_eq) else write(ioout, '(A, F10.5, A, F9.5, A, F8.5, A, F8.5)') & - 'O/F = ', of_ratio, ' % Fuel = ', pct_fuel, ' r, Eq. Ratio = ', r_eq, ' phi, Eq. Ratio = ', phi_eq + 'O/F = ', of_ratio, ' % Fuel = ', pct_fuel, & + ' r, Eq. Ratio = ', r_eq, ' phi, Eq. Ratio = ', & + phi_eq end if write(ioout,*) "" @@ -2866,7 +2909,8 @@ subroutine rocket_output(ioout, prob, solver, solutions) write(ioout, '(A)') " WITH EQUILIBRIUM REACTIONS" if (prob%output%long) then if (prob%output%siunit) then - write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/(kg-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_eq, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/(kg-K) ", & + (solutions(i, j, k)%eq_soln(idx)%cp_eq, idx=1,np) write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & (solutions(i, j, k)%eq_soln(idx)%conductivity_eq, idx=1,np) else @@ -2875,7 +2919,8 @@ subroutine rocket_output(ioout, prob, solver, solutions) write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & (solutions(i, j, k)%eq_soln(idx)%conductivity_eq/4.184d0, idx=1,np) end if - write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", (solutions(i, j, k)%eq_soln(idx)%Pr_eq, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", & + (solutions(i, j, k)%eq_soln(idx)%Pr_eq, idx=1,np) else if (prob%output%siunit) then write(ioout, thermo_fmt) " Cp, kJ/(kg-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_eq, idx=1,np) @@ -2895,22 +2940,26 @@ subroutine rocket_output(ioout, prob, solver, solutions) write(ioout, '(A)') " WITH FROZEN REACTIONS" if (prob%output%long) then if (prob%output%siunit) then - write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/(kg-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_fr, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, kJ/(kg-K) ", & + (solutions(i, j, k)%eq_soln(idx)%cp_fr, idx=1,np) write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & (solutions(i, j, k)%eq_soln(idx)%conductivity_fr, idx=1,np) else - write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/(g-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_fr/4.184d0, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') " Cp, cal/(g-K) ", & + (solutions(i, j, k)%eq_soln(idx)%cp_fr/4.184d0, idx=1,np) write(ioout, '(A, *(1X, ES23.15E3))') " Conductivity ", & (solutions(i, j, k)%eq_soln(idx)%conductivity_fr/4.184d0, idx=1,np) end if - write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", (solutions(i, j, k)%eq_soln(idx)%Pr_fr, idx=1,np) + write(ioout, '(A, *(1X, ES23.15E3))') " Prandtl Number ", & + (solutions(i, j, k)%eq_soln(idx)%Pr_fr, idx=1,np) else if (prob%output%siunit) then write(ioout, thermo_fmt) " Cp, kJ/(kg-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_fr, idx=1,np) write(ioout, thermo_fmt) " Conductivity ", & (solutions(i, j, k)%eq_soln(idx)%conductivity_fr, idx=1,np) else - write(ioout, thermo_fmt) " Cp, cal/(g-K) ", (solutions(i, j, k)%eq_soln(idx)%cp_fr/4.184d0, idx=1,np) + write(ioout, thermo_fmt) " Cp, cal/(g-K) ", & + (solutions(i, j, k)%eq_soln(idx)%cp_fr/4.184d0, idx=1,np) write(ioout, thermo_fmt) " Conductivity ", & (solutions(i, j, k)%eq_soln(idx)%conductivity_fr/4.184d0, idx=1,np) end if @@ -2931,15 +2980,18 @@ subroutine rocket_output(ioout, prob, solver, solutions) if (prob%output%siunit) then write(ioout, '(A, *(1X, ES23.15E3))') 'C*, m/s ', (solutions(i, j, k)%c_star(idx), idx=2,np) else - write(ioout, '(A, *(1X, ES23.15E3))') 'C*, ft/s ', (solutions(i, j, k)%c_star(idx)*3.2808349d0, idx=2,np) + write(ioout, '(A, *(1X, ES23.15E3))') 'C*, ft/s ', & + (solutions(i, j, k)%c_star(idx)*3.2808349d0, idx=2,np) end if write(ioout, '(A, *(1X, ES23.15E3))') 'Cf ', (solutions(i, j, k)%cf(idx), idx=2,np) if (prob%output%siunit) then write(ioout, '(A, *(1X, ES23.15E3))') 'Ivac, m/s ', (solutions(i, j, k)%i_vac(idx), idx=2,np) write(ioout, '(A, *(1X, ES23.15E3))') 'Isp, m/s ', (solutions(i, j, k)%i_sp(idx), idx=2,np) else - write(ioout, '(A, *(1X, ES23.15E3))') 'Ivac, lb-s/lb ', (solutions(i, j, k)%i_vac(idx)/9.80665d0, idx=2,np) - write(ioout, '(A, *(1X, ES23.15E3))') 'Isp, lb-s/lb ', (solutions(i, j, k)%i_sp(idx)/9.80665d0, idx=2,np) + write(ioout, '(A, *(1X, ES23.15E3))') 'Ivac, lb-s/lb ', & + (solutions(i, j, k)%i_vac(idx)/9.80665d0, idx=2,np) + write(ioout, '(A, *(1X, ES23.15E3))') 'Isp, lb-s/lb ', & + (solutions(i, j, k)%i_sp(idx)/9.80665d0, idx=2,np) end if else perf_label = 'Ae/At '