Addition of basic test for multiTransport object.
This just picks an arbitrary condition, calculates all of the interfacial properties, and dumps it to an ascii file. We want to ensure that the answer doesn't change over time.
This commit is contained in:
Harry Moffat
parent
0e8c62bee5
commit
6469863f62
6 changed files with 7004 additions and 0 deletions
9
test_problems/multiGasTransport/.cvsignore
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9
test_problems/multiGasTransport/.cvsignore
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@ -0,0 +1,9 @@
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outputa.txt
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output.txt
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transport_log.xml
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diff_test.out
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csvCode.txt
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*.d
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multiGasTransport
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.depends
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Makefile
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122
test_problems/multiGasTransport/Makefile.in
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122
test_problems/multiGasTransport/Makefile.in
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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 = multiGasTransport
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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 = multiGasTransport.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 ($(src_dir_tree), 1)
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CXX_FLAGS = -DSRCDIRTREE @CXXFLAGS@
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else
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CXX_FLAGS = @CXXFLAGS@
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endif
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# Ending C++ linking libraries
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LCXX_END_LIBS = @LCXX_END_LIBS@
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# the directory where the Cantera libraries are located
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CANTERA_LIBDIR=@buildlib@
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# required Cantera libraries
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CANTERA_LIBS = @LOCAL_LIBS@ -lctcxx
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# the directory where Cantera include files may be found.
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ifeq ($(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) $(CANTERA_LIBDIR)/libctbase.a
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$(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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6173
test_problems/multiGasTransport/gri30.xml
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6173
test_problems/multiGasTransport/gri30.xml
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File diff suppressed because it is too large
Load diff
275
test_problems/multiGasTransport/multiGasTransport.cpp
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275
test_problems/multiGasTransport/multiGasTransport.cpp
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/**
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* @file multiGasTransport.cpp
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* test problem for multi transport
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*/
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// Example
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//
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// Test case for mixture transport in a gas
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// The basic idea is to set up a gradient of some kind.
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// Then the resulting transport coefficients out.
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// Essentially all of the interface routines should be
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// exercised and the results dumped out.
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//
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// A blessed solution test will make sure that the actual
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// solution doesn't change as a function of time or
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// further development.
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// perhaps, later, an analytical solution could be added
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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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int k;
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string infile = "diamond.xml";
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try {
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IdealGasMix g("gri30.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] = 0.269205 ;
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Xset[1] = 0.000107082;
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Xset[2] = 1.36377e-09 ;
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Xset[3] = 4.35475e-10;
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Xset[4] = 4.34036e-06 ;
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Xset[5] = 0.192249;
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Xset[6] = 3.59356e-13;
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Xset[7] = 2.78061e-12 ;
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Xset[8] = 4.7406e-18 ;
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Xset[9] = 4.12955e-17 ;
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Xset[10] = 2.58549e-14 ;
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Xset[11] = 8.96502e-16 ;
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Xset[12] = 6.09056e-11 ;
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Xset[13] = 7.56752e-09 ;
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Xset[14] = 0.192253;
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Xset[15] = 0.0385036;
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Xset[16] = 1.49596e-08 ;
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Xset[17] = 2.22378e-08 ;
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Xset[18] = 1.43096e-13 ;
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Xset[19] = 1.45312e-15 ;
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Xset[20] = 1.96948e-12 ;
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Xset[21] = 8.41937e-19;
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Xset[22] = 3.18852e-13 ;
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Xset[23] = 7.93625e-18 ;
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Xset[24] = 3.20653e-15 ;
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Xset[25] = 1.15149e-19 ;
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Xset[26] = 1.61189e-18 ;
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Xset[27] = 1.4719e-15 ;
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Xset[28] = 5.24728e-13 ;
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Xset[29] = 6.90582e-17 ;
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Xset[30] = 6.37248e-12 ;
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Xset[31] = 5.93728e-11 ;
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Xset[32] = 2.71219e-09 ;
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Xset[33] = 2.66645e-06 ;
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Xset[34] = 6.57142e-11 ;
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Xset[35] = 9.52453e-08 ;
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Xset[36] = 1.26006e-14;
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Xset[37] = 3.49802e-12;
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Xset[38] = 1.19232e-11 ;
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Xset[39] = 7.17782e-13;
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Xset[40] = 1.85347e-07 ;
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Xset[41] = 8.25325e-14 ;
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Xset[42] = 5.00914e-20 ;
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Xset[43] = 1.54407e-16 ;
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Xset[44] =3.07176e-11 ;
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Xset[45] =4.93198e-08 ;
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Xset[46] =4.84792e-12 ;
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Xset[47] = 0.307675 ;
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Xset[48] =0;
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Xset[49] =6.21649e-29;
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Xset[50] = 8.42393e-28 ;
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Xset[51] = 6.77865e-18;
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Xset[52] = 2.19225e-16;
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double T1 = 1500.;
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double sum = 0.0;
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for (k = 0; k < nsp; k++) {
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sum += Xset[k];
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}
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for (k = 0; k < nsp; k++) {
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Xset[k] /= sum;
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}
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vector_fp X2set(nsp, 0.0);
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X2set[0] = 0.25 ;
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X2set[5] = 0.17;
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X2set[14] = 0.15;
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X2set[15] = 0.05;
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X2set[47] = 0.38 ;
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double T2 = 1200.;
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double dist = 0.1;
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vector_fp X3set(nsp, 0.0);
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X3set[0] = 0.27 ;
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X3set[5] = 0.15;
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X3set[14] = 0.18;
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X3set[15] = 0.06;
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X3set[47] = 0.36 ;
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double T3 = 1400.;
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vector_fp grad_T(3, 0.0);
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Array2D grad_X(nsp, 2, 0.0);
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for( k = 0; k < nsp; k++) {
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grad_X(k,0) = (X2set[k] - Xset[k])/dist;
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grad_X(k,1) = (X3set[k] - Xset[k])/dist;
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}
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grad_T[0] = (T2 - T1) / dist;
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grad_T[1] = (T3 - T1) / dist;
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int log_level = 0;
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Transport * tran = newTransportMgr("Multi", &g, log_level=0);
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MultiTransport * tranMix = dynamic_cast<MultiTransport *>(tran);
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g.setState_TPX(1500.0, pres, DATA_PTR(Xset));
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vector_fp mixDiffs(nsp, 0.0);
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tranMix->getMixDiffCoeffs(DATA_PTR(mixDiffs));
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printf(" Dump of the mixture Diffusivities:\n");
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" %15s %13.5g\n", sss.c_str(), mixDiffs[k]);
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}
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vector_fp specVisc(nsp, 0.0);
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tranMix->getSpeciesViscosities(DATA_PTR(specVisc));
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printf(" Dump of the species viscosities:\n");
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" %15s %13.5g\n", sss.c_str(), specVisc[k]);
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}
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vector_fp thermDiff(nsp, 0.0);
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tranMix->getThermalDiffCoeffs(DATA_PTR(thermDiff));
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printf(" Dump of the Thermal Diffusivities :\n");
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" %15s %13.5g\n", sss.c_str(), thermDiff[k]);
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}
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printf("Viscoscity and thermal Cond vs. T\n");
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for (k = 0; k < 10; k++) {
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T1 = 400. + 100. * k;
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g.setState_TPX(T1, pres, DATA_PTR(Xset));
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double visc = tran->viscosity();
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double cond = tran->thermalConductivity();
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printf(" %13g %13.5g %13.5g\n", T1, visc, cond);
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}
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g.setState_TPX(T1, pres, DATA_PTR(Xset));
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Array2D Bdiff(nsp, nsp, 0.0);
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printf("Binary Diffusion Coefficients H2 vs species\n");
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tranMix->getBinaryDiffCoeffs(nsp, Bdiff.ptrColumn(0));
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" H2 - %15s %13.5g %13.5g\n", sss.c_str(), Bdiff(0,k), Bdiff(k,0));
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}
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vector_fp specMob(nsp, 0.0);
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//tranMix->getMobilities(DATA_PTR(specMob));
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printf(" Dump of the species mobilities:\n");
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" %15s %13.5g\n", sss.c_str(), specMob[k]);
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}
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Array2D fluxes(nsp, 2, 0.0);
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tranMix->getSpeciesFluxes(2, DATA_PTR(grad_T), nsp,
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grad_X.ptrColumn(0), nsp, fluxes.ptrColumn(0));
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printf(" Dump of the species fluxes:\n");
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double sum1 = 0.0;
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double sum2 = 0.0;
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double max1 = 0.0;
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double max2 = 0.0;
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" %15s %13.5g %13.5g\n", sss.c_str(), fluxes(k,0), fluxes(k,1));
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sum1 += fluxes(k,0);
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if (fabs(fluxes(k,0) > max1)) {
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max1 = fabs(fluxes(k,0));
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}
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sum2 += fluxes(k,1);
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if (fabs(fluxes(k,1) > max2)) {
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max2 = fabs(fluxes(k,0));
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}
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}
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// Make sure roundoff error doesn't interfere with the printout.
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// these should be zero.
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if (fabs(sum1) * 1.0E14 > max1) {
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printf("sum in x direction = %13.5g\n", sum1);
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} else {
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printf("sum in x direction = 0\n");
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}
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if (fabs(sum2) * 1.0E14 > max2) {
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printf("sum in y direction = %13.5g\n", sum1);
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} else {
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printf("sum in y direction = 0\n");
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}
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Array2D MDdiff(nsp, nsp, 0.0);
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printf("Multicomponent Diffusion Coefficients H2 vs species\n");
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tranMix->getMultiDiffCoeffs(nsp, MDdiff.ptrColumn(0));
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" H2 - %15s %13.5g %13.5g\n", sss.c_str(), MDdiff(0,k), MDdiff(k,0));
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}
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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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391
test_problems/multiGasTransport/output_blessed.txt
Normal file
391
test_problems/multiGasTransport/output_blessed.txt
Normal file
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@ -0,0 +1,391 @@
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Dump of the mixture Diffusivities:
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H2 0.0016117
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H 0.0022587
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O 0.00064032
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O2 0.00042264
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OH 0.00062946
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H2O 0.00055527
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HO2 0.00042019
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H2O2 0.00041763
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C 0.00059188
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CH 0.00068026
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CH2 0.0004608
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CH2(S) 0.0004608
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CH3 0.00045156
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CH4 0.00044985
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CO 0.00040272
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CO2 0.0003319
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HCO 0.00036192
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CH2O 0.00035926
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CH2OH 0.00035027
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CH3O 0.00035027
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CH3OH 0.00035149
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C2H 0.0003524
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C2H2 0.00034919
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C2H3 0.00034618
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C2H4 0.00034634
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C2H5 0.00031771
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C2H6 0.00031538
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HCCO 0.00053082
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CH2CO 0.00030635
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HCCOH 0.00030635
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N 0.00056491
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NH 0.00067404
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NH2 0.00066041
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NH3 0.00050222
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NNH 0.00040495
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NO 0.00041226
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NO2 0.00037026
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N2O 0.00033509
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HNO 0.00041903
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CN 0.00040648
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HCN 0.00035852
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H2CN 0.00035559
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HCNN 0.00053081
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HCNO 0.00033642
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HOCN 0.00033642
|
||||
HNCO 0.00033642
|
||||
NCO 0.00033783
|
||||
N2 0.00039204
|
||||
AR 0.00041248
|
||||
C3H7 0.00024676
|
||||
C3H8 0.00024577
|
||||
CH2CHO 0.00030507
|
||||
CH3CHO 0.00030384
|
||||
Dump of the species viscosities:
|
||||
H2 2.5558e-05
|
||||
H 3.012e-05
|
||||
O 7.2846e-05
|
||||
O2 6.232e-05
|
||||
OH 7.5106e-05
|
||||
H2O 5.3252e-05
|
||||
HO2 6.3294e-05
|
||||
H2O2 6.4253e-05
|
||||
C 4.4565e-05
|
||||
CH 6.5712e-05
|
||||
CH2 3.2735e-05
|
||||
CH2(S) 3.2735e-05
|
||||
CH3 3.3891e-05
|
||||
CH4 3.6048e-05
|
||||
CO 5.31e-05
|
||||
CO2 5.4383e-05
|
||||
HCO 4.1657e-05
|
||||
CH2O 4.2374e-05
|
||||
CH2OH 4.1945e-05
|
||||
CH3O 4.1945e-05
|
||||
CH3OH 4.3184e-05
|
||||
C2H 3.5412e-05
|
||||
C2H2 3.6118e-05
|
||||
C2H3 3.6811e-05
|
||||
C2H4 3.7975e-05
|
||||
C2H5 3.3592e-05
|
||||
C2H6 3.4169e-05
|
||||
HCCO 0.00012854
|
||||
CH2CO 4.2391e-05
|
||||
HCCOH 4.2391e-05
|
||||
N 4.8126e-05
|
||||
NH 7.5995e-05
|
||||
NH2 7.8505e-05
|
||||
NH3 4.7175e-05
|
||||
NNH 5.2243e-05
|
||||
NO 5.5922e-05
|
||||
NO2 6.636e-05
|
||||
N2O 5.2858e-05
|
||||
HNO 5.9564e-05
|
||||
CN 4.7597e-05
|
||||
HCN 3.7899e-05
|
||||
H2CN 3.86e-05
|
||||
HCNN 0.00012855
|
||||
HCNO 5.2262e-05
|
||||
HOCN 5.2262e-05
|
||||
HNCO 5.2262e-05
|
||||
NCO 5.1646e-05
|
||||
N2 5.4033e-05
|
||||
AR 7.2525e-05
|
||||
C3H7 3.0191e-05
|
||||
C3H8 3.0542e-05
|
||||
CH2CHO 4.2896e-05
|
||||
CH3CHO 4.3395e-05
|
||||
Dump of the Thermal Diffusivities :
|
||||
H2 -1.7503e-06
|
||||
H -5.7989e-10
|
||||
O -1.0369e-14
|
||||
O2 2.9826e-15
|
||||
OH -2.8782e-11
|
||||
H2O -8.6999e-07
|
||||
HO2 2.9475e-18
|
||||
H2O2 2.4422e-17
|
||||
C -5.3516e-22
|
||||
CH -6.1047e-22
|
||||
CH2 -1.2322e-19
|
||||
CH2(S) -4.3658e-21
|
||||
CH3 -2.61e-16
|
||||
CH4 -3.2329e-14
|
||||
CO 7.5984e-07
|
||||
CO2 7.0425e-07
|
||||
HCO 7.2002e-14
|
||||
CH2O 1.206e-13
|
||||
CH2OH 8.7283e-19
|
||||
CH3O 8.3686e-21
|
||||
CH3OH 1.4224e-17
|
||||
C2H -2.0912e-22
|
||||
C2H2 1.0948e-18
|
||||
C2H3 1.1969e-22
|
||||
C2H4 1.5341e-20
|
||||
C2H5 -1.8899e-22
|
||||
C2H6 8.0324e-23
|
||||
HCCO 1.5491e-20
|
||||
CH2CO 8.4812e-18
|
||||
HCCOH 9.805e-22
|
||||
N -4.407e-17
|
||||
NH -4.9452e-16
|
||||
NH2 -2.0983e-14
|
||||
NH3 -1.208e-11
|
||||
NNH 3.6354e-16
|
||||
NO 5.2094e-13
|
||||
NO2 2.5505e-19
|
||||
N2O 6.5745e-17
|
||||
HNO 7.7863e-17
|
||||
CN 2.1289e-18
|
||||
HCN 6.0686e-13
|
||||
H2CN 3.2947e-19
|
||||
HCNN -1.9632e-21
|
||||
HCNO 2.8188e-21
|
||||
HOCN 5.5133e-16
|
||||
HNCO 8.851e-13
|
||||
NCO 8.2058e-17
|
||||
N2 1.1568e-06
|
||||
AR 1.1368e-22
|
||||
C3H7 4.4615e-23
|
||||
C3H8 -1.5971e-22
|
||||
CH2CHO 3.1949e-22
|
||||
CH3CHO 3.5976e-21
|
||||
Viscoscity and thermal Cond vs. T
|
||||
400 1.9759e-05 0.063366
|
||||
500 2.3573e-05 0.075886
|
||||
600 2.7136e-05 0.087831
|
||||
700 3.0495e-05 0.099704
|
||||
800 3.3685e-05 0.11176
|
||||
900 3.6732e-05 0.12387
|
||||
1000 3.9656e-05 0.13543
|
||||
1100 4.2474e-05 0.14732
|
||||
1200 4.5198e-05 0.15911
|
||||
1300 4.7839e-05 0.1708
|
||||
Binary Diffusion Coefficients H2 vs species
|
||||
H2 - H2 0.0016879 0.0016879
|
||||
H2 - H 0.0025721 0.0025721
|
||||
H2 - O 0.0012683 0.0012683
|
||||
H2 - O2 0.00095123 0.00095123
|
||||
H2 - OH 0.0012641 0.0012641
|
||||
H2 - H2O 0.0011339 0.0011339
|
||||
H2 - HO2 0.00095037 0.00095037
|
||||
H2 - H2O2 0.00094956 0.00094956
|
||||
H2 - C 0.0010829 0.0010829
|
||||
H2 - CH 0.0012845 0.0012845
|
||||
H2 - CH2 0.00086916 0.00086916
|
||||
H2 - CH2(S) 0.00086916 0.00086916
|
||||
H2 - CH3 0.00086549 0.00086549
|
||||
H2 - CH4 0.0008765 0.0008765
|
||||
H2 - CO 0.00090717 0.00090717
|
||||
H2 - CO2 0.00080661 0.00080661
|
||||
H2 - HCO 0.00080996 0.00080996
|
||||
H2 - CH2O 0.00080907 0.00080907
|
||||
H2 - CH2OH 0.00079571 0.00079571
|
||||
H2 - CH3O 0.00079571 0.00079571
|
||||
H2 - CH3OH 0.00079987 0.00079987
|
||||
H2 - C2H 0.00075165 0.00075165
|
||||
H2 - C2H2 0.00075057 0.00075057
|
||||
H2 - C2H3 0.00074956 0.00074956
|
||||
H2 - C2H4 0.00075894 0.00075894
|
||||
H2 - C2H5 0.00069633 0.00069633
|
||||
H2 - C2H6 0.00069557 0.00069557
|
||||
H2 - HCCO 0.0012756 0.0012756
|
||||
H2 - CH2CO 0.00072381 0.00072381
|
||||
H2 - HCCOH 0.00072381 0.00072381
|
||||
H2 - N 0.0010717 0.0010717
|
||||
H2 - NH 0.0013191 0.0013191
|
||||
H2 - NH2 0.0013142 0.0013142
|
||||
H2 - NH3 0.001032 0.001032
|
||||
H2 - NNH 0.00088778 0.00088778
|
||||
H2 - NO 0.00091389 0.00091389
|
||||
H2 - NO2 0.00088641 0.00088641
|
||||
H2 - N2O 0.00079306 0.00079306
|
||||
H2 - HNO 0.00093713 0.00093713
|
||||
H2 - CN 0.00087207 0.00087207
|
||||
H2 - HCN 0.00079297 0.00079297
|
||||
H2 - H2CN 0.00079198 0.00079198
|
||||
H2 - HCNN 0.0012756 0.0012756
|
||||
H2 - HCNO 0.00079346 0.00079346
|
||||
H2 - HOCN 0.00079346 0.00079346
|
||||
H2 - HNCO 0.00079346 0.00079346
|
||||
H2 - NCO 0.00079388 0.00079388
|
||||
H2 - N2 0.00091593 0.00091593
|
||||
H2 - AR 0.00096702 0.00096702
|
||||
H2 - C3H7 0.00057286 0.00057286
|
||||
H2 - C3H8 0.00057256 0.00057256
|
||||
H2 - CH2CHO 0.00072342 0.00072342
|
||||
H2 - CH3CHO 0.00072305 0.00072305
|
||||
Dump of the species mobilities:
|
||||
H2 0
|
||||
H 0
|
||||
O 0
|
||||
O2 0
|
||||
OH 0
|
||||
H2O 0
|
||||
HO2 0
|
||||
H2O2 0
|
||||
C 0
|
||||
CH 0
|
||||
CH2 0
|
||||
CH2(S) 0
|
||||
CH3 0
|
||||
CH4 0
|
||||
CO 0
|
||||
CO2 0
|
||||
HCO 0
|
||||
CH2O 0
|
||||
CH2OH 0
|
||||
CH3O 0
|
||||
CH3OH 0
|
||||
C2H 0
|
||||
C2H2 0
|
||||
C2H3 0
|
||||
C2H4 0
|
||||
C2H5 0
|
||||
C2H6 0
|
||||
HCCO 0
|
||||
CH2CO 0
|
||||
HCCOH 0
|
||||
N 0
|
||||
NH 0
|
||||
NH2 0
|
||||
NH3 0
|
||||
NNH 0
|
||||
NO 0
|
||||
NO2 0
|
||||
N2O 0
|
||||
HNO 0
|
||||
CN 0
|
||||
HCN 0
|
||||
H2CN 0
|
||||
HCNN 0
|
||||
HCNO 0
|
||||
HOCN 0
|
||||
HNCO 0
|
||||
NCO 0
|
||||
N2 0
|
||||
AR 0
|
||||
C3H7 0
|
||||
C3H8 0
|
||||
CH2CHO 0
|
||||
CH3CHO 0
|
||||
Dump of the species fluxes:
|
||||
H2 1.1295e-06 -1.0115e-06
|
||||
H 1.675e-08 1.7425e-08
|
||||
O 1.0192e-12 1.0229e-12
|
||||
O2 4.4764e-13 4.3823e-13
|
||||
OH 3.4017e-09 3.4061e-09
|
||||
H2O 1.7507e-05 3.1389e-05
|
||||
HO2 3.7974e-16 3.7115e-16
|
||||
H2O2 3.0116e-15 2.9421e-15
|
||||
C 2.4382e-21 2.464e-21
|
||||
CH 2.6835e-20 2.6825e-20
|
||||
CH2 1.2328e-17 1.232e-17
|
||||
CH2(S) 4.2716e-19 4.2709e-19
|
||||
CH3 3.0594e-14 3.0518e-14
|
||||
CH4 4.0423e-12 4.0311e-12
|
||||
CO 4.2351e-05 1.3798e-05
|
||||
CO2 -9.6117e-06 -2.1996e-05
|
||||
HCO 1.1937e-11 1.1691e-11
|
||||
CH2O 1.8246e-11 1.7856e-11
|
||||
CH2OH 1.1867e-16 1.1612e-16
|
||||
CH3O 1.2045e-18 1.179e-18
|
||||
CH3OH 1.6941e-15 1.6538e-15
|
||||
C2H 8.5585e-22 6.5125e-22
|
||||
C2H2 2.2129e-16 2.1663e-16
|
||||
C2H3 5.884e-21 5.6232e-21
|
||||
C2H4 2.3822e-18 2.3281e-18
|
||||
C2H5 6.223e-22 2.5991e-22
|
||||
C2H6 9.1348e-22 1.0591e-21
|
||||
HCCO 2.4162e-18 2.3733e-18
|
||||
CH2CO 5.2646e-16 5.0816e-16
|
||||
HCCOH 6.9269e-20 6.6872e-20
|
||||
N 3.6829e-15 3.699e-15
|
||||
NH 4.3696e-14 4.3934e-14
|
||||
NH2 2.0916e-12 2.0997e-12
|
||||
NH3 1.6742e-09 1.6732e-09
|
||||
NNH 5.8843e-14 5.7587e-14
|
||||
NO 8.9545e-11 8.7725e-11
|
||||
NO2 1.6614e-17 1.6068e-17
|
||||
N2O 4.0171e-15 3.8758e-15
|
||||
HNO 1.1783e-14 1.1533e-14
|
||||
CN 5.7585e-16 5.6534e-16
|
||||
HCN 1.3605e-10 1.3352e-10
|
||||
H2CN 6.2428e-17 6.12e-17
|
||||
HCNN 1.0244e-20 4.4589e-21
|
||||
HCNO 1.7387e-19 1.6786e-19
|
||||
HOCN 3.4592e-14 3.3394e-14
|
||||
HNCO 5.554e-11 5.3617e-11
|
||||
NCO 5.3473e-15 5.1664e-15
|
||||
N2 -5.1397e-05 -2.2202e-05
|
||||
AR -2.0486e-23 -6.8287e-24
|
||||
C3H7 3.1515e-22 1.0505e-22
|
||||
C3H8 -1.8775e-22 -6.2583e-23
|
||||
CH2CHO 7.4066e-21 6.851e-21
|
||||
CH3CHO 2.2845e-19 2.206e-19
|
||||
sum in x direction = 0
|
||||
sum in y direction = 0
|
||||
Multicomponent Diffusion Coefficients H2 vs species
|
||||
H2 - H2 0 0
|
||||
H2 - H 0.020703 0.017382
|
||||
H2 - O 0.0015341 0.004933
|
||||
H2 - O2 0.00079887 0.0032535
|
||||
H2 - OH 0.0014511 0.0048493
|
||||
H2 - H2O 0.0013647 0.0036314
|
||||
H2 - HO2 0.00077706 0.0032354
|
||||
H2 - H2O2 0.00075651 0.0032157
|
||||
H2 - C 0.0019692 0.0045605
|
||||
H2 - CH 0.0018524 0.0052407
|
||||
H2 - CH2 0.0016827 0.0035457
|
||||
H2 - CH2(S) 0.0016827 0.0035457
|
||||
H2 - CH3 0.0015775 0.0034746
|
||||
H2 - CH4 0.0014868 0.0034605
|
||||
H2 - CO 0.00089568 0.0025486
|
||||
H2 - CO2 0.00059045 0.0024497
|
||||
H2 - HCO 0.00085824 0.0027701
|
||||
H2 - CH2O 0.00083193 0.0027497
|
||||
H2 - CH2OH 0.00080603 0.0026796
|
||||
H2 - CH3O 0.00080603 0.0026796
|
||||
H2 - CH3OH 0.00078349 0.0026908
|
||||
H2 - C2H 0.00097607 0.0027085
|
||||
H2 - C2H2 0.00094124 0.0026838
|
||||
H2 - C2H3 0.00090895 0.0026607
|
||||
H2 - C2H4 0.00088002 0.0026588
|
||||
H2 - C2H5 0.00084597 0.0024401
|
||||
H2 - C2H6 0.00081988 0.0024223
|
||||
H2 - HCCO 0.00066948 0.0040843
|
||||
H2 - CH2CO 0.00060738 0.0023465
|
||||
H2 - HCCOH 0.00060738 0.0023465
|
||||
H2 - N 0.0017083 0.0043527
|
||||
H2 - NH 0.0016308 0.0051928
|
||||
H2 - NH2 0.0015371 0.0050838
|
||||
H2 - NH3 0.0014256 0.0038362
|
||||
H2 - NNH 0.00086567 0.0031201
|
||||
H2 - NO 0.00084253 0.0031742
|
||||
H2 - NO2 0.0005749 0.0028463
|
||||
H2 - N2O 0.00058929 0.0025745
|
||||
H2 - HNO 0.00082014 0.0032259
|
||||
H2 - CN 0.00095394 0.0031317
|
||||
H2 - HCN 0.00091411 0.0027416
|
||||
H2 - H2CN 0.00088394 0.0027192
|
||||
H2 - HCNN 0.00066944 0.0040842
|
||||
H2 - HCNO 0.00060129 0.0025847
|
||||
H2 - HOCN 0.00060129 0.0025847
|
||||
H2 - HNCO 0.00060129 0.0025847
|
||||
H2 - NCO 0.0006141 0.0025956
|
||||
H2 - N2 0.00089645 0.0021797
|
||||
H2 - AR 0.00065799 0.0031743
|
||||
H2 - C3H7 0.0005806 0.0018947
|
||||
H2 - C3H8 0.0005685 0.0018871
|
||||
H2 - CH2CHO 0.00059459 0.0023368
|
||||
H2 - CH3CHO 0.00058238 0.0023274
|
||||
34
test_problems/multiGasTransport/runtest
Executable file
34
test_problems/multiGasTransport/runtest
Executable file
|
|
@ -0,0 +1,34 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
#
|
||||
|
||||
temp_success="1"
|
||||
/bin/rm -f output.txt outputa.txt
|
||||
tname="multiGasTransport"
|
||||
|
||||
#################################################################
|
||||
#
|
||||
#################################################################
|
||||
CANTERA_DATA=${CANTERA_DATA:=../../data/inputs}; export CANTERA_DATA
|
||||
|
||||
CANTERA_BIN=${CANTERA_BIN:=../../bin}
|
||||
./multiGasTransport > output.txt
|
||||
retnStat=$?
|
||||
if [ $retnStat != "0" ]
|
||||
then
|
||||
temp_success="0"
|
||||
echo "$tname ($tname test) returned with bad status, $retnStat, check output"
|
||||
fi
|
||||
|
||||
../../bin/exp3to2.sh output.txt > outputa.txt
|
||||
diff -w outputa.txt output_blessed.txt > diff_test.out
|
||||
retnStat=$?
|
||||
if [ $retnStat = "0" ]
|
||||
then
|
||||
echo "successful diff comparison on $tname test"
|
||||
else
|
||||
echo "unsuccessful diff comparison on $tname test"
|
||||
echo "FAILED" > csvCode.txt
|
||||
temp_success="0"
|
||||
fi
|
||||
|
||||
Loading…
Add table
Reference in a new issue