updated eqsolver max temperature to fix high-temperature errors (#100)

* updated eqsolver max temperature to fix high-temperature errors

Author: markleader

CHANGELOG.md

@@ -6,10 +6,20 @@ All notable user-visible changes to this project are documented here.
 
 ### Changed
 
+### Fixed
+
+### Added
+
+## [3.3.1] - 2026-07-29
+
+### Changed
+
 ### Fixed
 - Frozen rocket calculations now switch from equilibrium to frozen composition
   after `n_frz` when the boundary falls within a multi-point exit schedule,
   restoring CEA2 behavior for both IAC and FAC calculations.
+- Equilibrium solves now support gas temperatures through the CEA2
+  high-temperature fit range instead of reporting non-convergence above 6600 K.
 
 ### Added
 

CMakeLists.txt

@@ -8,7 +8,7 @@ set(CMAKE_MSVC_RUNTIME_LIBRARY "MultiThreaded$<$<CONFIG:Debug>:Debug>")
 set(CMAKE_DISABLE_SOURCE_CHANGES ON)
 set(CMAKE_DISABLE_IN_SOURCE_BUILD ON)
 project(CEA
-    VERSION 3.3.0
+    VERSION 3.3.1
     LANGUAGES Fortran
 )
 

docs/source/conf.py

@@ -22,7 +22,7 @@
 copyright = ''
 author = 'Mark Leader'
 version = '3.3'
-release = '3.3.0'
+release = '3.3.1'
 
 # -- General configuration ---------------------------------------------------
 # https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration

source/bind/python/cea/__init__.py

@@ -1,4 +1,4 @@
-__version__ = "3.3.0"
+__version__ = "3.3.1"
 
 # initialize libcea, loading in the default data files
 from cea.lib.libcea import init as libcea_init

source/equilibrium.f90

@@ -77,8 +77,8 @@ module cea_equilibrium
             !! Maximum number of times the problem can converge without establishing a set of condensed species
         real(dp) :: T_min = 160.0d0
             !! Minimum mixture temperature (K)
-        real(dp) :: T_max = 6600.0d0
-            !! Maximum mixture temperature (K)
+        real(dp) :: T_max = 22000.0d0
+            !! Maximum mixture temperature (K), including the CEA2 10% margin above the 20000 K gas-fit limit
 
     contains
 

source/equilibrium_test.pf

@@ -930,6 +930,47 @@ contains
 
     end subroutine
 
+    @test
+    subroutine test_high_temperature_ionized_ar_n2_h2
+
+        type(Mixture) :: products
+        type(Mixture) :: reactants
+        type(EqSolver) :: solver
+        type(EqSolution) :: soln
+        character(snl), allocatable :: product_names(:)
+        integer :: idx_ar_plus, idx_h_plus, idx_n_plus, idx_electron
+        real(dp) :: pressure, weights(3)
+        real(dp), parameter :: tol = 1.0d-6
+
+        reactants = Mixture(all_thermo, ['Ar', 'N2', 'H2'], ions=.true.)
+        product_names = reactants%get_products(all_thermo)
+        products = Mixture(all_thermo, product_names, ions=.true.)
+
+        solver = EqSolver(products, reactants, ions=.true.)
+        soln = EqSolution(solver)
+
+        weights = reactants%weights_from_moles([0.75d0, 0.10d0, 0.15d0])
+        pressure = atm_to_bar(1.0d0)
+
+        call solver%solve(soln, 'tp', 20000.0d0, pressure, weights)
+
+        idx_ar_plus = findloc(products%species_names, 'Ar+', dim=1)
+        idx_h_plus = findloc(products%species_names, 'H+', dim=1)
+        idx_n_plus = findloc(products%species_names, 'N+', dim=1)
+        idx_electron = findloc(products%species_names, 'e-', dim=1)
+
+        @assertTrue(soln%converged)
+        @assertRelativelyEqual(20000.0d0, soln%T, tol)
+        @assertRelativelyEqual(7.426681957390653d-2, soln%n, tol)
+
+        ! Major ionized-species mole fractions agree with the CEA2 high-temperature reference case.
+        @assertRelativelyEqual(2.9875203384714055d-1, soln%nj(idx_ar_plus)/soln%n, tol)
+        @assertRelativelyEqual(1.1399947689736623d-1, soln%nj(idx_h_plus)/soln%n, tol)
+        @assertRelativelyEqual(7.8210494984876172d-2, soln%nj(idx_n_plus)/soln%n, tol)
+        @assertRelativelyEqual(4.9096191012797125d-1, soln%nj(idx_electron)/soln%n, tol)
+
+    end subroutine
+
     @test
     subroutine test_negative_reactant
         type(Mixture) :: products