Added 2 new tests associated with NASA9 polynomial capability.
This commit is contained in:
Harry Moffat
parent
c5fe9d121f
commit
c5dee4adae
14 changed files with 6796 additions and 0 deletions
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@ -34,6 +34,7 @@ ifeq ($(test_python),2)
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endif
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ifeq ($(test_ck),1)
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cd ck2cti_test; @MAKE@ all
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cd nasa9_reader; @MAKE@ all
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endif
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ifeq ($(test_cathermo),1)
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cd cathermo; @MAKE@ all
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@ -47,6 +48,7 @@ test:
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@ cd diamondSurf; @MAKE@ -s test
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@ cd diamondSurf_dupl; @MAKE@ -s test
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@ cd surfSolverTest; @MAKE@ -s test
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@ cd NASA9poly_test; @MAKE@ -s test
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@ cd ChemEquil_gri_matrix; @MAKE@ -s test
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@ cd ChemEquil_gri_pairs; @MAKE@ -s test
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@ cd ChemEquil_ionizedGas; @MAKE@ -s test
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@ -58,6 +60,7 @@ ifeq ($(test_cathermo),1)
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endif
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ifeq ($(test_ck),1)
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@ cd ck2cti_test; @MAKE@ -s test
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@ cd nasa9_reader; @MAKE@ -s test
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endif
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ifeq ($(test_python),1)
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cd min_python; @MAKE@ -s test
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@ -79,6 +82,7 @@ clean:
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cd diamondSurf; $(RM) .depends ; @MAKE@ clean
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cd diamondSurf_dupl; $(RM) .depends ; @MAKE@ clean
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cd surfSolverTest; $(RM) .depends ; @MAKE@ clean
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cd NASA9poly_test; $(RM) .depends ; @MAKE@ clean
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cd ChemEquil_gri_matrix; $(RM) .depends ; @MAKE@ clean
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cd ChemEquil_gri_pairs; $(RM) .depends ; @MAKE@ clean
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cd ChemEquil_ionizedGas; $(RM) .depends ; @MAKE@ clean
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@ -87,6 +91,7 @@ clean:
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cd multiGasTransport; $(RM) .depends ; @MAKE@ clean
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cd pureFluidTest; $(RM) .depends ; @MAKE@ clean
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cd ck2cti_test; $(RM) .depends ; @MAKE@ clean
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cd nasa9_reader; $(RM) .depends ; @MAKE@ clean
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cd min_python; @MAKE@ clean
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cd python; @MAKE@ clean
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cd cathermo; @MAKE@ clean
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@ -99,6 +104,7 @@ depends:
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cd diamondSurf; @MAKE@ depends
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cd diamondSurf_dupl; @MAKE@ depends
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cd surfSolverTest; @MAKE@ depends
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cd NASA9poly_test; @MAKE@ depends
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cd ChemEquil_gri_matrix; @MAKE@ depends
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cd ChemEquil_gri_pairs; @MAKE@ depends
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cd ChemEquil_ionizedGas; @MAKE@ depends
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@ -110,6 +116,7 @@ ifeq ($(test_cathermo),1)
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endif
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ifeq ($(test_ck),1)
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cd ck2cti_test; @MAKE@ depends
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cd nasa9_reader; @MAKE@ depends
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endif
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ifeq ($(test_python),1)
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cd min_python; @MAKE@ depends
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7
test_problems/NASA9poly_test/.cvsignore
Normal file
7
test_problems/NASA9poly_test/.cvsignore
Normal file
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@ -0,0 +1,7 @@
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csvCode.txt
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Makefile
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NASA9poly_test
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diff_test.out
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output.txt
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outputa.txt
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transport_log.xml
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138
test_problems/NASA9poly_test/Makefile.in
Normal file
138
test_problems/NASA9poly_test/Makefile.in
Normal file
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@ -0,0 +1,138 @@
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#!/bin/sh
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############################################################################
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#
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# Makefile to compile and link a C++ application to
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# Cantera.
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#
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#############################################################################
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# addition to suffixes
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.SUFFIXES : .d
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# the name of the executable program to be created
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PROG_NAME = NASA9poly_test
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# the object files to be linked together. List those generated from Fortran
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# and from C/C++ separately
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OBJS = NASA9poly_test.o
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# Location of the current build. Will assume that tests are run
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# in the source directory tree location
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src_dir_tree = 0
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# additional flags to be passed to the linker. If your program
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# requires other external libraries, put them here
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LINK_OPTIONS = @EXTRA_LINK@
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#############################################################################
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# Check to see whether we are in the msvc++ environment
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os_is_win = @OS_IS_WIN@
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# Fortran libraries
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FORT_LIBS = @FLIBS@
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# the C++ compiler
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CXX = @CXX@
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# C++ compile flags
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ifeq ($(src_dir_tree), 1)
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CXX_FLAGS = -DSRCDIRTREE @CXXFLAGS@
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else
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CXX_FLAGS = @CXXFLAGS@
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endif
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# Ending C++ linking libraries
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LCXX_END_LIBS = @LCXX_END_LIBS@
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# the directory where the Cantera libraries are located
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CANTERA_LIBDIR=@buildlib@
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# required Cantera libraries
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CANTERA_LIBS = @LOCAL_LIBS@ -lctcxx
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# Cantera library Dependencies
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CANTERA_LIB_DEPS = $(CANTERA_LIBDIR)/liboneD.a \
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$(CANTERA_LIBDIR)/libzeroD.a \
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$(CANTERA_LIBDIR)/libkinetics.a \
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$(CANTERA_LIBDIR)/libtransport.a \
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$(CANTERA_LIBDIR)/libthermo.a \
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$(CANTERA_LIBDIR)/libctnumerics.a \
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$(CANTERA_LIBDIR)/libcvode.a \
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$(CANTERA_LIBDIR)/libctbase.a \
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$(CANTERA_LIBDIR)/libctlapack.a \
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$(CANTERA_LIBDIR)/libctblas.a \
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$(CANTERA_LIBDIR)/libctmath.a \
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$(CANTERA_LIBDIR)/libtpx.a \
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$(CANTERA_LIBDIR)/libconverters.a
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# the directory where Cantera include files may be found.
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ifeq ($(src_dir_tree), 1)
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CANTERA_INCDIR=../../Cantera/src
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else
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CANTERA_INCDIR=@ctroot@/build/include/cantera
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endif
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# flags passed to the C++ compiler/linker for the linking step
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LCXX_FLAGS = -L$(CANTERA_LIBDIR) @LOCAL_LIB_DIRS@ @CXXFLAGS@
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# How to compile C++ source files to object files
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.@CXX_EXT@.@OBJ_EXT@: Interface.h
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$(CXX) -c $< -I$(CANTERA_INCDIR) @CXX_INCLUDES@ $(CXX_FLAGS)
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# How to compile the dependency file
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.cpp.d:
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@CXX_DEPENDS@ -I$(CANTERA_INCDIR) $(CXX_FLAGS) $*.cpp > $*.d
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# List of dependency files to be created
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DEPENDS=$(OBJS:.o=.d)
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# Program Name
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PROGRAM = $(PROG_NAME)$(EXE_EXT)
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# all rule makes a single program
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all: $(PROGRAM)
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# Rule to make the program
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$(PROGRAM): $(OBJS) $(CANTERA_LIB_DEPS)
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$(CXX) -o $(PROGRAM) $(OBJS) $(LCXX_FLAGS) $(LINK_OPTIONS) \
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$(CANTERA_LIBS) @LIBS@ $(FORT_LIBS) \
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$(LCXX_END_LIBS)
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# Add an additional target for stability:
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$(OBJS): $(CANTERA_LIBDIR)/libctbase.a $(CANTERA_LIBDIR)/libthermo.a
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# depends target
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depends:
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$(RM) *.d .depends
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@MAKE@ .depends
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.depends: $(DEPENDS)
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cat *.d > .depends
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# Do the test -> For the windows vc++ environment, we have to skip checking on
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# whether the program is uptodate, because we don't utilize make
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# in that environment to build programs.
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test:
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ifeq ($(os_is_win), 1)
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else
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@ @MAKE@ -s $(PROGRAM)
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endif
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@ ./runtest
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# clean target -> clean up
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clean:
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$(RM) $(OBJS) $(PROGRAM) $(DEPENDS) .depends
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../../bin/rm_cvsignore
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(if test -d SunWS_cache ; then \
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$(RM) -rf SunWS_cache ; \
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fi )
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ifeq ($(wildcard .depends), .depends)
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include .depends
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endif
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81
test_problems/NASA9poly_test/NASA9poly_test.cpp
Normal file
81
test_problems/NASA9poly_test/NASA9poly_test.cpp
Normal file
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@ -0,0 +1,81 @@
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/**
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* @file NASA9poly_test
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* test problem for NASA 9 coefficient formulation
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*/
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#include <iostream>
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#include <string>
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#include <vector>
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#include <string>
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#include <iomanip>
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using namespace std;
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#define MAX(x,y) (( (x) > (y) ) ? (x) : (y))
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/*****************************************************************/
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/*****************************************************************/
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#include "Cantera.h"
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#include "transport.h"
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#include "IdealGasMix.h"
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#include "kernel/TransportFactory.h"
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using namespace Cantera;
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void printDbl(double val) {
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if (fabs(val) < 5.0E-17) {
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cout << " nil";
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} else {
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cout << val;
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}
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}
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int main(int argc, char** argv) {
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try {
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IdealGasMix g("gasNASA9.xml", "gri30_mix");
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int nsp = g.nSpecies();
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double pres = 1.0E5;
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vector_fp Xset(nsp, 0.0);
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Xset[0] = 0.5 ;
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Xset[1] = 0.5;
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g.setState_TPX(1500.0, pres, DATA_PTR(Xset));
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vector_fp cp_R(nsp, 0.0);
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g.getCp_R(DATA_PTR(cp_R));
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printf("Comparisons of H2 calculated via several equivalent classes:\n");
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printf("1500 K and 1 atm:\n");
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printf(" NasaThermo Nasa9 Nasa9_4reg \n");
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printf(" cp/R: %11.6g %11.6g %11.6g\n", cp_R[0], cp_R[1], cp_R[2]);
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vector_fp H_RT(nsp, 0.0);
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g.getEnthalpy_RT(DATA_PTR(H_RT));
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printf(" H/RT: %11.6g %11.6g %11.6g\n", H_RT[0], H_RT[1], H_RT[2]);
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vector_fp S_R(nsp, 0.0);
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g.getEntropy_R(DATA_PTR(S_R));
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printf(" S/R: %11.6g %11.6g %11.6g\n", S_R[0], S_R[1], S_R[2]);
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}
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catch (CanteraError) {
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showErrors(cout);
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}
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return 0;
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}
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/***********************************************************/
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6245
test_problems/NASA9poly_test/gasNASA9.xml
Normal file
6245
test_problems/NASA9poly_test/gasNASA9.xml
Normal file
File diff suppressed because it is too large
Load diff
6
test_problems/NASA9poly_test/output_blessed.txt
Normal file
6
test_problems/NASA9poly_test/output_blessed.txt
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Comparisons of H2 calculated via several equivalent classes:
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1500 K and 1 atm:
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NasaThermo Nasa9 Nasa9_4reg
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cp/R: 3.8823 3.8823 3.8823
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H/RT: 2.91015 2.91015 2.91015
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S/R: 21.5255 21.5255 21.5255
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34
test_problems/NASA9poly_test/runtest
Executable file
34
test_problems/NASA9poly_test/runtest
Executable file
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@ -0,0 +1,34 @@
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#!/bin/sh
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#
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#
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temp_success="1"
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/bin/rm -f output.txt outputa.txt
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tname="NASA9poly_test"
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#################################################################
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#
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#################################################################
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CANTERA_DATA=${CANTERA_DATA:=../../data/inputs}; export CANTERA_DATA
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CANTERA_BIN=${CANTERA_BIN:=../../bin}
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./NASA9poly_test > output.txt
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retnStat=$?
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if [ $retnStat != "0" ]
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then
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temp_success="0"
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echo "$tname ($tname test) returned with bad status, $retnStat, check output"
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fi
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../../bin/exp3to2.sh output.txt > outputa.txt
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diff -w outputa.txt output_blessed.txt > diff_test.out
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retnStat=$?
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if [ $retnStat = "0" ]
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then
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echo "successful diff comparison on $tname test"
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else
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echo "unsuccessful diff comparison on $tname test"
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echo "FAILED" > csvCode.txt
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temp_success="0"
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fi
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10
test_problems/nasa9_reader/.cvsignore
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10
test_problems/nasa9_reader/.cvsignore
Normal file
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@ -0,0 +1,10 @@
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Makefile
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ck2cti.log
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ct2ctml.log
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diff_test.out
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runtest
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sample.cti
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samplea.cti
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sampleb.cti
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testdest.xml
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testdest2.xml
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16
test_problems/nasa9_reader/Makefile.in
Normal file
16
test_problems/nasa9_reader/Makefile.in
Normal file
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@ -0,0 +1,16 @@
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#
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# $Revision$
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# $Author$
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# $Date$
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#
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#
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all:
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test:
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./runtest
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clean:
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../../bin/rm_cvsignore
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depends:
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41
test_problems/nasa9_reader/runtest.in
Executable file
41
test_problems/nasa9_reader/runtest.in
Executable file
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@ -0,0 +1,41 @@
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#!/bin/sh
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# $Id$
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#
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echo " "
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echo "***************************************************"
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echo " Testing CK2CTI on NASA9 Thermodynamics : using the build/bin version of ck2cti"
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echo "***************************************************"
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echo " "
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BINDIR=@buildbin@
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CK2CTI=$BINDIR/ck2cti
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/bin/rm -f sample.cti
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echo "...Test 1: Converting file sample.inp..."
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$CK2CTI -i ./sample.inp -id sample -t sampleData.inp
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#
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# strip out variably dated stuff
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#
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cat sample.cti | sed '1,5s/^#.*$/#/' > samplea.cti
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#
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# Change all 3 character exponent expressions starting with 0
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# into 2 character exponent expressions
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# (MSVC++ defaults to 3, and I can't figure out how to change
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# this behavior).
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#
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../../bin/exp3to2.sh samplea.cti > sampleb.cti
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#
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#
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diff sampleb.cti sample_blessed.cti > diff_test.out
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retnStat=$?
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#
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if [ $retnStat = "0" ]
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then
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echo "Successful diff comparison on ck2cti test (nasa9_reader/sample.inp)"
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else
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echo "########################################################"
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echo "Unsuccessful diff comparison on ck2cti test (nasa9_reader/sample.inp)"
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echo " For more information, see files:"
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echo " test_problems/nasa9_reader/diff_test.out"
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echo " test_problems/nasa9_reader/sampleb.cti"
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echo " test_problems/nasa9_reader/sample_blessed.cti"
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echo "########################################################"
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fi
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10
test_problems/nasa9_reader/sample.inp
Normal file
10
test_problems/nasa9_reader/sample.inp
Normal file
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@ -0,0 +1,10 @@
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!
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!
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!
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!
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ELEMENTS
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O H Al Cl E Ar
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END
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SPECIES
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ALCL3 e- AR
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END
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96
test_problems/nasa9_reader/sample.xml
Normal file
96
test_problems/nasa9_reader/sample.xml
Normal file
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@ -0,0 +1,96 @@
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<?xml version="1.0"?>
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<ctml>
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<validate reactions="yes" species="yes"/>
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<!-- phase sample -->
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<phase dim="3" id="sample">
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<elementArray datasrc="elements.xml">O H Al Cl E Ar </elementArray>
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<speciesArray datasrc="#species_data">ALCL3 e- AR </speciesArray>
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<reactionArray datasrc="#reaction_data"/>
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<state>
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<temperature units="K">300.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="IdealGas"/>
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<kinetics model="GasKinetics"/>
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<transport model="None"/>
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</phase>
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<!-- species definitions -->
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<speciesData id="species_data">
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<!-- species ALCL3 -->
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<species name="ALCL3">
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<atomArray>Al:1 Cl:3 </atomArray>
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<note>Gurvich,1996a pt1 p173 pt2 p134.</note>
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<thermo>
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<NASA9 Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="9">
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7.750600970E+04, -1.440779717E+03, 1.401744141E+01, -6.381631240E-03,
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5.871674720E-06, -2.908872278E-09, 5.994050890E-13, -6.579343180E+04
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-4.494017799E+01</floatArray>
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</NASA9>
|
||||
<NASA9 Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="9">
|
||||
-1.378630916E+05, -5.579207290E+01, 1.004190387E+01, -1.682165339E-05,
|
||||
3.724664660E-09, -4.275526780E-13, 1.982341329E-17, -7.343407470E+04
|
||||
-2.045130429E+01</floatArray>
|
||||
</NASA9>
|
||||
</thermo>
|
||||
</species>
|
||||
|
||||
<!-- species e- -->
|
||||
<species name="e-">
|
||||
<atomArray>E:1 </atomArray>
|
||||
<note>Ref-Species. Chase, 1998 3/82. </note>
|
||||
<charge>-1</charge>
|
||||
<thermo>
|
||||
<NASA9 Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
||||
<floatArray name="coeffs" size="9">
|
||||
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
|
||||
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02
|
||||
-1.172081224E+01</floatArray>
|
||||
</NASA9>
|
||||
<NASA9 Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="9">
|
||||
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
|
||||
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02
|
||||
-1.172081224E+01</floatArray>
|
||||
</NASA9>
|
||||
<NASA9 Tmax="20000.0" Tmin="6000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="9">
|
||||
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
|
||||
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02
|
||||
-1.172081224E+01</floatArray>
|
||||
</NASA9>
|
||||
</thermo>
|
||||
</species>
|
||||
|
||||
<!-- species AR -->
|
||||
<species name="AR">
|
||||
<atomArray>Ar:1 </atomArray>
|
||||
<note>Ref-Elm. Moore,1971. Gordon,1999.. </note>
|
||||
<thermo>
|
||||
<NASA9 Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="9">
|
||||
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
|
||||
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02
|
||||
4.379674910E+00</floatArray>
|
||||
</NASA9>
|
||||
<NASA9 Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="9">
|
||||
2.010538475E+01, -5.992661070E-02, 2.500069401E+00, -3.992141160E-08,
|
||||
1.205272140E-11, -1.819015576E-15, 1.078576636E-19, -7.449939610E+02
|
||||
4.379180110E+00</floatArray>
|
||||
</NASA9>
|
||||
<NASA9 Tmax="20000.0" Tmin="6000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="9">
|
||||
-9.951265080E+08, 6.458887260E+05, -1.675894697E+02, 2.319933363E-02,
|
||||
-1.721080911E-06, 6.531938460E-11, -9.740147729E-16, -5.078300340E+06
|
||||
1.465298484E+03</floatArray>
|
||||
</NASA9>
|
||||
</thermo>
|
||||
</species>
|
||||
</speciesData>
|
||||
<reactionData id="reaction_data"/>
|
||||
</ctml>
|
||||
35
test_problems/nasa9_reader/sampleData.inp
Normal file
35
test_problems/nasa9_reader/sampleData.inp
Normal file
|
|
@ -0,0 +1,35 @@
|
|||
thermo NASA9
|
||||
200.00 1000.00 6000.00 20000. 3/19/02
|
||||
e- Ref-Species. Chase, 1998 3/82.
|
||||
3 912/98 E 1.00 0.00 0.00 0.00 0.00 0.000548579903 0.000
|
||||
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
|
||||
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
|
||||
0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01
|
||||
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
|
||||
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
|
||||
0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01
|
||||
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
|
||||
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
|
||||
0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01
|
||||
ALCL3 Gurvich,1996a pt1 p173 pt2 p134.
|
||||
2 tpis96 Al 1.00Cl 3.00 0.00 0.00 0.00 0 133.3405380 -584678.863
|
||||
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16400.803
|
||||
7.750600970D+04-1.440779717D+03 1.401744141D+01-6.381631240D-03 5.871674720D-06
|
||||
-2.908872278D-09 5.994050890D-13 -6.579343180D+04-4.494017799D+01
|
||||
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16400.803
|
||||
-1.378630916D+05-5.579207290D+01 1.004190387D+01-1.682165339D-05 3.724664660D-09
|
||||
-4.275526780D-13 1.982341329D-17 -7.343407470D+04-2.045130429D+01
|
||||
AR Ref-Elm. Moore,1971. Gordon,1999..
|
||||
3 g 3/98 Ar 1.00 0.00 0.00 0.00 0.00 0 39.9480000 0.000
|
||||
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
|
||||
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
|
||||
0.000000000D+00 0.000000000D+00 -7.453750000D+02 4.379674910D+00
|
||||
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
|
||||
2.010538475D+01-5.992661070D-02 2.500069401D+00-3.992141160D-08 1.205272140D-11
|
||||
-1.819015576D-15 1.078576636D-19 -7.449939610D+02 4.379180110D+00
|
||||
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
|
||||
-9.951265080D+08 6.458887260D+05-1.675894697D+02 2.319933363D-02-1.721080911D-06
|
||||
6.531938460D-11-9.740147729D-16 -5.078300340D+06 1.465298484D+03
|
||||
END
|
||||
|
||||
|
||||
70
test_problems/nasa9_reader/sample_blessed.cti
Normal file
70
test_problems/nasa9_reader/sample_blessed.cti
Normal file
|
|
@ -0,0 +1,70 @@
|
|||
#
|
||||
#
|
||||
#
|
||||
#
|
||||
units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol")
|
||||
|
||||
|
||||
ideal_gas(name = "sample",
|
||||
elements = " O H Al Cl E Ar ",
|
||||
species = """ ALCL3 e- AR """,
|
||||
reactions = "all",
|
||||
initial_state = state(temperature = 300.0,
|
||||
pressure = OneAtm) )
|
||||
|
||||
|
||||
|
||||
#-------------------------------------------------------------------------------
|
||||
# Species data
|
||||
#-------------------------------------------------------------------------------
|
||||
|
||||
species(name = "ALCL3",
|
||||
atoms = " Al:1 Cl:3 ",
|
||||
thermo = (
|
||||
NASA9( [ 200.00, 1000.00], [ 7.750600970E+04, -1.440779717E+03, 1.401744141E+01,
|
||||
-6.381631240E-03, 5.871674720E-06, -2.908872278E-09,
|
||||
5.994050890E-13, -6.579343180E+04, -4.494017799E+01] ),
|
||||
NASA9( [ 1000.00, 6000.00], [ -1.378630916E+05, -5.579207290E+01, 1.004190387E+01,
|
||||
-1.682165339E-05, 3.724664660E-09, -4.275526780E-13,
|
||||
1.982341329E-17, -7.343407470E+04, -2.045130429E+01] )
|
||||
),
|
||||
note = " Gurvich,1996a pt1 p173 pt2 p134."
|
||||
)
|
||||
|
||||
species(name = "e-",
|
||||
atoms = " E:1 ",
|
||||
thermo = (
|
||||
NASA9( [ 298.15, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
|
||||
0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
||||
0.000000000E+00, -7.453750000E+02, -1.172081224E+01] ),
|
||||
NASA9( [ 1000.00, 6000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
|
||||
0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
||||
0.000000000E+00, -7.453750000E+02, -1.172081224E+01] ),
|
||||
NASA9( [ 6000.00, 20000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
|
||||
0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
||||
0.000000000E+00, -7.453750000E+02, -1.172081224E+01] )
|
||||
),
|
||||
note = " Ref-Species. Chase, 1998 3/82. "
|
||||
)
|
||||
|
||||
species(name = "AR",
|
||||
atoms = " Ar:1 ",
|
||||
thermo = (
|
||||
NASA9( [ 200.00, 1000.00], [ 0.000000000E+00, 0.000000000E+00, 2.500000000E+00,
|
||||
0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
||||
0.000000000E+00, -7.453750000E+02, 4.379674910E+00] ),
|
||||
NASA9( [ 1000.00, 6000.00], [ 2.010538475E+01, -5.992661070E-02, 2.500069401E+00,
|
||||
-3.992141160E-08, 1.205272140E-11, -1.819015576E-15,
|
||||
1.078576636E-19, -7.449939610E+02, 4.379180110E+00] ),
|
||||
NASA9( [ 6000.00, 20000.00], [ -9.951265080E+08, 6.458887260E+05, -1.675894697E+02,
|
||||
2.319933363E-02, -1.721080911E-06, 6.531938460E-11,
|
||||
-9.740147729E-16, -5.078300340E+06, 1.465298484E+03] )
|
||||
),
|
||||
note = " Ref-Elm. Moore,1971. Gordon,1999.. "
|
||||
)
|
||||
|
||||
|
||||
|
||||
#-------------------------------------------------------------------------------
|
||||
# Reaction data
|
||||
#-------------------------------------------------------------------------------
|
||||
Loading…
Add table
Reference in a new issue