FireX: Merge with firemodels/master

Manuals/FDS_User_Guide/FDS_User_Guide.tex

@@ -3452,7 +3452,7 @@ \subsubsection{Example}
 \section{Pyrolysis and Energy Conservation}
 \label{solid_phase_energy_conservation}
 
-The \ct{HEAT_OF_REACTION} is the energy gained or lost in converting the material to residue(s) and/or gas(es). In other words the \ct{HEAT_OF_REACTION} is the enthalpy of the products at the current solid temperature minus the enthalpy of the initial material at the current solid temperature. For total internal energy to be conserved, this must hold true. A challenge is that while the heat of reaction may be known for a solid material, detailed knowledge of the material enthalpy or the enthalpy of any residue or gaseous products is often not known. In cases where a reference enthalpy for a material is known, you can input on the \ct{MATL} line the \ct{REFERENCE_ENTHALPY} in kJ/kg and the \ct{REFERENCE_ENTHALPY_TEMPERATURE} in $^\circ$C.
+The \ct{HEAT_OF_REACTION} is the energy gained or lost in converting the material to residue(s) and/or gas(es). In other words the \ct{HEAT_OF_REACTION} is the enthalpy of the products at the current solid temperature minus the enthalpy of the initial material at the current solid temperature. For total internal energy to be conserved, this must hold true. A challenge is that while the heat of reaction may be known for a solid material, detailed knowledge of the material enthalpy or the enthalpy of any residue or gaseous products is often not known. In cases where a reference enthalpy for a material is known, you can input on the \ct{MATL} line the \ct{REFERENCE_ENTHALPY} in kJ/kg and the \ct{REFERENCE_ENTHALPY_TEMPERATURE} in $^\circ$C. All reactions require a \ct{HEAT_OF_REACTION} even if it is zero.
 
 FDS will attempt to adjust all material enthalpies so that internal energy is conserved. For each material reaction a linear equation is defined:
 \be
@@ -3467,7 +3467,7 @@ \section{Pyrolysis and Energy Conservation}
 
 The value of $T_{\rm ref}$ used for a reaction is the value specified by the \ct{REFERENCE_TEMPERATURE} for that reaction. If no value is given (when the reaction is defined using \ct{A} and \ct{E}), then FDS will do a virtual TGA using just the single reaction for the single material. The temperature where the peak reaction rate occurs is used for $T_{\rm ref}$. Since in most cases the specific heat of a material and the specific heats of its residues and product gases are not the same, the heat of reaction is temperature dependent. FDS will create a temperature dependent array for the heat of reaction that accounts for this where the value at $T_{\rm ref}$ is fixed to the value specified with \ct{HEAT_OF_REACTION}.
 
-This process of adjusting enthalpies can be skipped by setting \ct{ADJUST_H=F} on a \ct{MATL} line. This should be done when material reactions do not represent actual chemical reactions. If no \ct{HEAT_OF_REACTION} is specified for a \ct{MATL} with a reaction then \ct{ADJUST_H=F} will be set. Note that this means if a reaction has \ct{HEAT_OF_REACTION} that is actually zero, and enthalpy adjustment is desired, then set \ct{HEAT_OF_REACTION} to 0 in the input file for that reaction.
+This process of adjusting enthalpies can be skipped by setting \ct{ADJUST_H=F} on a \ct{MATL} line. This should be done when material reactions do not represent actual chemical reactions. 
 
 If the sum of the yields is less than 1, then for the purpose of solving for the $H_{\rm adj}$ values, FDS will assume that the missing mass is a material with the same specific heat as the original material.
 
@@ -5679,7 +5679,7 @@ \subsection{Example Case: Soot Deposition from a Propane Flame}
 &SPEC ID = 'NITROGEN',          LUMPED_COMPONENT_ONLY = T /
 &SPEC ID = 'WATER VAPOR',       LUMPED_COMPONENT_ONLY = T /
 &SPEC ID = 'CARBON DIOXIDE',    LUMPED_COMPONENT_ONLY = T /
-&SPEC ID = 'SOOT',              AEROSOL = T /
+&SPEC ID = 'SOOT',              AEROSOL = T, MEAN_DIAMETER=1.E-6 /
 \end{lstlisting}
 If Eq.~(\ref{eq:PROPANE_depo}) is properly balanced, you can directly use the stoichiometric coefficients of the primitive species to define the lumped species:
 
@@ -14071,6 +14071,7 @@ \chapter{Error Codes}
 242  \> \ct{Spray Pattern Table ... massflux <= 0 for line ...} \> Section~\ref{info:sprinklers}  \\
 243  \> \ct{PROP ... VIEW_ANGLE must be between 0 and 180} \> Section~\ref{info:sprinklers}  \\
      \>                                                                               \>                                     \\
+250  \> \ct{MATL ... REAC ... requires a HEAT_OF_REACTION.} \> Section~\ref{solid_phase_energy_conservation}  \\
 251  \> \ct{MATL ... REAC ... Set REFERENCE_TEMPERATURE or E, A.} \> Section~\ref{info:kinetic_parameters}  \\
 252  \> \ct{MATL ... HEAT_OF_REACTION should be greater than 0.} \> Section~\ref{info:HEAT_OF_REACTION}  \\
 253  \> \ct{MATL ... DENSITY=0.} \> Section~\ref{info:thermal_properties}  \\

Manuals/FDS_Verification_Guide/FDS_Verification_Guide.tex

@@ -4074,10 +4074,10 @@ \section{Combustion Load Balancing (\ct{comb\_load\_bal})}
 
 \begin{figure}[p]
 \begin{tabular*}{\textwidth}{lr}
-\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propanee_Arrhenius_FIRE} &
-\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propanee_Arrhenius_COMM} \\
-\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propanee_Arrhenius_TOT} &
-\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propanee_Arrhenius_DEVC}
+\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propane_Arrhenius_FIRE} &
+\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propane_Arrhenius_COMM} \\
+\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propane_Arrhenius_TOT} &
+\includegraphics[height=2.15in]{SCRIPT_FIGURES/comb_load_bal_Propane_Arrhenius_DEVC}
 \end{tabular*}
 \caption[Results of the \ct{comb\_load\_balance} test cases]{Combustion load balance case using two-step Propane Arrhenius reactions.}
 \label{fig:comb_load_bal_2step_Arrhenius}
@@ -4602,18 +4602,32 @@ \section{Heat Conduction Through a Solid Slab (\texorpdfstring{\ct{heat\_conduct
 \end{center}
 
 \begin{figure}[ht]
-\noindent
-\begin{tabular*}{\textwidth}{l@{\extracolsep{\fill}}r}
-\includegraphics[height=2.2in]{SCRIPT_FIGURES/heat_conduction_a} &
-\includegraphics[height=2.2in]{SCRIPT_FIGURES/heat_conduction_b} \\
-\includegraphics[height=2.2in]{SCRIPT_FIGURES/heat_conduction_c} &
-\includegraphics[height=2.2in]{SCRIPT_FIGURES/heat_conduction_d}
-\end{tabular*}
-\caption[The \ct{heat\_conduction} test cases]{Comparison of heat conduction calculations with analytical solutions.}
-\label{heat_conduction}
+	\noindent
+	\begin{tabular*}{\textwidth}{l@{\extracolsep{\fill}}r}
+		\includegraphics[height=2.2in]{SCRIPT_FIGURES/heat_conduction_a} &
+		\includegraphics[height=2.2in]{SCRIPT_FIGURES/heat_conduction_b} \\
+		\includegraphics[height=2.2in]{SCRIPT_FIGURES/heat_conduction_c} &
+		\includegraphics[height=2.2in]{SCRIPT_FIGURES/heat_conduction_d}
+	\end{tabular*}
+	\caption[The \ct{heat\_conduction} test cases]{Comparison of heat conduction calculations with analytical solutions.}
+	\label{heat_conduction}
 \end{figure}
 
+\section{Heat Conduction Through a Solid Slab Part 2 (\texorpdfstring{\ct{back\_wall}}{back\_wall})}
+\label{back_wall}
 
+A slab of thickness $L=0.01$~m with a conductivity of 10~\si{W/(m.K)} is exposed to a backside temperature of $T_g=200$~\si{\degree C}.
+The backside heat transfer conditions are $h$=50~\si{W/(m^2.K)} and $e$=0.5. The frontside heat transfer conditions are $h$=10~\si{W/(m^2.K)} and $e$=1. 
+This case test that both sets of conditions are applied.
+
+\begin{figure}[ht]
+	\centering
+	\begin{tabular}{c}
+		\includegraphics[height=2.2in]{SCRIPT_FIGURES/back_wall}
+	\end{tabular}
+	\caption[Front and back wall temperatures for the \ct{back\_wall} case]{Front and back wall temperatures for the \ct{back\_wall} case}
+	\label{fig:back_wall}
+\end{figure}
 
 \section{Temperature-Dependent Thermal Properties (\texorpdfstring{\ct{heat\_conduction\_kc}}{heat\_conduction\_kc})}
 \label{heat_conduction_kc}

Source/devc.f90

@@ -32,45 +32,45 @@ MODULE DEVICE_VARIABLES
 !> \brief Derived type storing location and value informaton for DEVICE\%SUBDEVICE
 
 TYPE SUBDEVICE_TYPE
-   !> !\{
+   !> @{
    !> Intermediate value used for computing device SPATIAL_STATISTIC or TEMPORAL_STATISTIC
    REAL(EB) :: VALUE_1=0._EB,VALUE_2=0._EB,VALUE_3=0._EB,VALUE_4=0._EB
-   !> !\}
-   !> !\{
+   !> @}
+   !> @{
    !> Subdevice point, line, or bounding box physical coordinate (m)
    REAL(EB) :: X1,X2,Y1,Y2,Z1,Z2
-   !> !\}
+   !> @}
    INTEGER :: MESH !< Subdevice mesh location
-   !> !\{
+   !> @{
    !> Subdevice point, line, or bounding box grid index
    INTEGER :: I1=-1,I2=-1,J1=-1,J2=-1,K1=-1,K2=-1
-   !> !\}
+   !> @}
    INTEGER :: N_PATH=0 !< Number of grid cells along subdevice path for TRANSMISSION or PATH OBSCURATION
-   !> !\{
+   !> @{
    !> Grid index for a grid cell along subdevice path for TRANSMISSION or PATH OBSCURATION
    INTEGER, ALLOCATABLE, DIMENSION(:) :: I_PATH,J_PATH,K_PATH
-   ! !\}
+   !> @}
    REAL(EB), ALLOCATABLE, DIMENSION(:) :: D_PATH
-   !<Segment length in a grid cell along subdevice path for TRANSMISSION or PATH OBSCURATION
+   !< Segment length in a grid cell along subdevice path for TRANSMISSION or PATH OBSCURATION
 END TYPE SUBDEVICE_TYPE
 
 !> \brief Derived type for a measurement device (DEVC)
 
 TYPE DEVICE_TYPE
    TYPE(SUBDEVICE_TYPE), ALLOCATABLE, DIMENSION(:) :: SUBDEVICE !<Array of subdevices
    REAL(EB) :: T !< Used to track time stuff for a DEVC that is part of an ASPIRATION detector.
-   !> !\{
+   !> @{
    !> Physical coordinate of a point DEVC
    REAL(EB) :: X,Y,Z
-   !> !\}
-   !> !\{
+   !> @}
+   !> @{
    !> Origin of a linear array of devices
    REAL(EB) :: X0,Y0,Z0
-   !> !\}
-   !> !\{
+   !> @}
+   !> @{
    !> Physical coordinates for DEVC spanning a line, plane, or volume
    REAL(EB) :: X1,X2,Y1,Y2,Z1,Z2
-   !> !\}
+   !> @}
    REAL(EB) :: INITIAL_VALUE=-1.E10_EB,INSTANT_VALUE,VALUE=0._EB,SMOOTHED_VALUE=-1.E10_EB,PREVIOUS_VALUE=0._EB, &
                DEPTH,TMP_L,Y_C,OBSCURATION,DELAY,ROTATION,SMOOTHING_FACTOR=0._EB,SMOOTHING_TIME=-1._EB, &
                VALUE_1,VALUE_2,VALUE_3,VALUE_4,&
@@ -134,7 +134,7 @@ MODULE CONTROL_VARIABLES
 
 IMPLICIT NONE (TYPE,EXTERNAL)
 
-!> !\{
+!> @{
 !> Parameter defining the type of control function for CONTROL\%CONTROL_INDEX
 ! When adding more functions:
 ! 1-50 are fucntions with a logical output that have only one input
@@ -150,11 +150,11 @@ MODULE CONTROL_VARIABLES
                       CF_POWER=201,CF_DIVIDE=202,&
                       CF_SUM=301,CF_SUBTRACT=302,CF_MULTIPLY=303,CF_MIN=304,CF_MAX=305,&
                       CF_PERCENTILE=401
-!> !\}
-!> !\{
+!> @}
+!> @{
 !> Parameter used to define the type of input for CONTROL\%INPUT_TYPE
 INTEGER, PARAMETER :: DEVICE_INPUT=1,CONTROL_INPUT=2,CONSTANT_INPUT=3
-!> !\}
+!> @}
 
 INTEGER :: N_CTRL = 0 !< Length of CONTROL
 INTEGER :: N_CTRL_FILES = 0 !< Number of CHID_ctrl.csv output files
@@ -183,7 +183,7 @@ MODULE CONTROL_VARIABLES
    INTEGER, ALLOCATABLE, DIMENSION (:) :: INPUT_TYPE
    !< Array of inidicating if a specific input to a control function is a device and a control functon
    REAL(EB) :: SETPOINT(2)=1.E30_EB
-   !<Setpoint for a control function. For a DEADBAND function contains the lower and upper bounds of the DEADBAND
+   !< Setpoint for a control function. For a DEADBAND function contains the lower and upper bounds of the DEADBAND
    REAL(EB) :: DELAY=0._EB !<Delay time (s) for a TIME_DELAY function
    REAL(EB) :: T_CHANGE=1000000._EB !<Time the control function changed state
    REAL(EB) :: CONSTANT=-9.E30_EB !<Value assigned to CONSTANT on a CTRL input

Source/dump.f90

@@ -8452,6 +8452,7 @@ END SUBROUTINE UPDATE_DEVICES_2
 !> \param IND2 Index of the sometimes needed second output quantity
 !> \param Y_INDEX Index of the primitive gas species
 !> \param Z_INDEX Index of the gas species mixture
+!> \param ELEM_INDX Index of the chemical element
 !> \param PART_INDEX Index of the Lagrangian particle class
 !> \param VELO_INDEX Index of the velocity component, x=1, y=2, z=3
 !> \param PIPE_INDEX Index of the pipe branch

Source/func.f90

@@ -5852,7 +5852,6 @@ END SUBROUTINE TRANSFORM_COORDINATES
 !> \brief Find the determinant of a matrix A of order N
 !> \param A is a square matrix N x N
 !> \param N is the order of the matrix
-!> \param DET is the result
 
 RECURSIVE FUNCTION DETERMINANT(A, N) RESULT(DET)
 INTEGER, INTENT(IN) :: N

Source/init.f90

@@ -3396,6 +3396,7 @@ END SUBROUTINE INIT_THIN_WALL_CELL
 !> \brief Assign internal values of temp, density, and mass fraction
 !> \param NM Mesh number
 !> \param IW WALL index
+!> \param TT Curent time (s)
 
 SUBROUTINE SET_DENSITY_AND_MASS_FRACTIONS_AT_WALL(NM,IW,TT)
 

Source/read.f90

@@ -1872,7 +1872,7 @@ SUBROUTINE READ_MISC
    SIM_MODE = SVLES_MODE
    I_FLUX_LIMITER = SUPERBEE_LIMITER
    TURBULENCE_MODEL = 'DEARDORFF'
-   CFL_VELOCITY_NORM = 3
+   CFL_VELOCITY_NORM = 2
    CONSTANT_SPECIFIC_HEAT_RATIO = .TRUE.
 ELSE
    WRITE(MESSAGE,'(A,A,A)')  'ERROR(128): SIMULATION_MODE, ',TRIM(SIMULATION_MODE),', is not an option.'
@@ -7191,8 +7191,8 @@ SUBROUTINE READ_MATL
 
       DO NR=1,N_REACTIONS
          IF (HEAT_OF_REACTION(NR)<=-1.E12_EB) THEN
-            HEAT_OF_REACTION(NR) = 0._EB
-            ADJUST_H = .FALSE.
+            WRITE(MESSAGE,'(A,A,A,I0,A)') 'ERROR(250): MATL ',TRIM(ID),', REAC ',NR,' requires a HEAT_OF_REACTION.'
+            CALL SHUTDOWN(MESSAGE) ; RETURN
          ENDIF
          IF (REFERENCE_TEMPERATURE(NR)<-TMPM  .AND. (E(NR)< 0._EB .OR. A(NR)<0._EB)) THEN
             WRITE(MESSAGE,'(A,A,A,I0,A)') 'ERROR(251): MATL ',TRIM(ID),', REAC ',NR,'. Set REFERENCE_TEMPERATURE or E, A'

Source/wall.f90

@@ -3723,11 +3723,11 @@ SUBROUTINE CONSTANT_HTC
 
 USE MATH_FUNCTIONS, ONLY: EVALUATE_RAMP
 
-HEAT_TRANSFER_COEFFICIENT = SF%H_FIXED
+HEAT_TRANSFER_COEFFICIENT = H_FIXED
 IF (SF%RAMP_H_FIXED_INDEX>0) THEN
    HEAT_TRANSFER_COEFFICIENT = HEAT_TRANSFER_COEFFICIENT*EVALUATE_RAMP(T-T_BEGIN,SF%RAMP_H_FIXED_INDEX)
 ELSE
-   HEAT_TRANSFER_COEFFICIENT = SF%H_FIXED
+   HEAT_TRANSFER_COEFFICIENT = H_FIXED
 ENDIF
 
 END SUBROUTINE CONSTANT_HTC

Utilities/Input_Libraries/Chemical_Mechanisms/Cantera/grimech30.spec

@@ -13,8 +13,8 @@ CH2,METHYLENE,NONE
 CH2(S),METHYLENEs,NONE
 CH3,METHYL RADICAL,METHANE
 CH4,METHANE,METHANE
-CO,CARBON MONOXIDE,CARBON DIOXIDE
-CO2,CARBON DIOXIDE,CARBON MONOXIDE
+CO,CARBON MONOXIDE,CARBON MONOXIDE
+CO2,CARBON DIOXIDE,CARBON DIOXIDE
 HCO,FORMYL RADICAL,NONE
 CH2O,FORMALDEHYDE,NONE
 CH2OH,HYDROXYMETHYL RADICAL,NONE

Utilities/Input_Libraries/MATL/pine_wood_1C_MATL.fds

@@ -17,7 +17,7 @@
       NU_SPEC(1,1)       = 0.69
       SPEC_ID(1:2,2)     = 'OXYGEN','FUEL VAPOR'
       NU_SPEC(1:2,2)     = -0.1, 0.79
-      HEAT_OF_REACTION(1:2) = 416./
+      HEAT_OF_REACTION(1:2) = 416.,416/
 
 &MATL ID                 = 'CHAR'
       DENSITY            = 112.     ! 112/360 = 0.31 to match yield from AC Tab 7

Utilities/Input_Libraries/MATL/pine_wood_3C_MATL.fds

@@ -16,7 +16,7 @@
       NU_SPEC(1,1)       = 0.75
       SPEC_ID(1:2,2)     = 'OXYGEN','FUEL VAPOR'
       NU_SPEC(1:2,2)     = -0.1, 0.85
-      HEAT_OF_REACTION(1:2) = 416./
+      HEAT_OF_REACTION(1:2) = 416.,416/
 
 &MATL ID                 = 'PINE 2' ! first hump of anaerobic curve
       DENSITY            = 360.
@@ -35,7 +35,7 @@
       NU_SPEC(1,1)       = 0.75
       SPEC_ID(1:2,2)     = 'OXYGEN','FUEL VAPOR'
       NU_SPEC(1:2,2)     = -0.1, 0.85
-      HEAT_OF_REACTION(1:2) = 416./ AC Tab 8
+      HEAT_OF_REACTION(1:2) = 416.,416/ AC Tab 8
 
 &MATL ID                 = 'PINE 3' ! broad third peak (tail of anaerobic curve)
       DENSITY            = 360.
@@ -54,7 +54,7 @@
       NU_SPEC(1,1)       = 0.75
       SPEC_ID(1:2,2)     = 'OXYGEN','FUEL VAPOR'
       NU_SPEC(1:2,2)     = -0.1, 0.85
-      HEAT_OF_REACTION(1:2) = 416./
+      HEAT_OF_REACTION(1:2) = 416.,416/
 
 &MATL ID                 = 'CHAR'
       DENSITY            = 90.