From ea63e3163ac1c5c0406ce129fc05a5cbf54a165e Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Wed, 14 Dec 2011 05:55:11 +0000 Subject: [PATCH] Moved remaining C++ tests out of examples/cxx --- examples/Makefile.in | 12 - examples/cxx/.cvsignore | 30 - examples/cxx/Makefile.in | 131 - examples/cxx/examples.dsp | 134 - examples/cxx/flame1.cpp | 60 - examples/cxx/gri30.xml | 6213 ----------------- test_problems/cxx_ex/Makefile.in | 133 +- .../cxx_ex}/equil_example1.cpp | 0 .../cxx_ex}/example_utils.h | 0 .../cxx => test_problems/cxx_ex}/examples.cpp | 0 .../cxx_ex}/kinetics_example1.cpp | 0 .../cxx_ex}/kinetics_example2.cpp | 0 .../cxx_ex}/kinetics_example3.cpp | 0 .../cxx_ex}/rxnpath_example1.cpp | 0 .../cxx_ex}/transport_example1.cpp | 0 .../cxx_ex}/transport_example2.cpp | 0 16 files changed, 124 insertions(+), 6589 deletions(-) delete mode 100755 examples/Makefile.in delete mode 100644 examples/cxx/.cvsignore delete mode 100755 examples/cxx/Makefile.in delete mode 100755 examples/cxx/examples.dsp delete mode 100644 examples/cxx/flame1.cpp delete mode 100644 examples/cxx/gri30.xml rename {examples/cxx => test_problems/cxx_ex}/equil_example1.cpp (100%) rename {examples/cxx => test_problems/cxx_ex}/example_utils.h (100%) rename {examples/cxx => test_problems/cxx_ex}/examples.cpp (100%) rename {examples/cxx => test_problems/cxx_ex}/kinetics_example1.cpp (100%) rename {examples/cxx => test_problems/cxx_ex}/kinetics_example2.cpp (100%) rename {examples/cxx => test_problems/cxx_ex}/kinetics_example3.cpp (100%) rename {examples/cxx => test_problems/cxx_ex}/rxnpath_example1.cpp (100%) rename {examples/cxx => test_problems/cxx_ex}/transport_example1.cpp (100%) rename {examples/cxx => test_problems/cxx_ex}/transport_example2.cpp (100%) diff --git a/examples/Makefile.in b/examples/Makefile.in deleted file mode 100755 index ced72344e..000000000 --- a/examples/Makefile.in +++ /dev/null @@ -1,12 +0,0 @@ -#/bin/sh - -all: - @echo 'building example programs....' - cd cxx; @MAKE@ all - -clean: - cd cxx; @MAKE@ clean - -depends: - cd cxx; @MAKE@ depends - diff --git a/examples/cxx/.cvsignore b/examples/cxx/.cvsignore deleted file mode 100644 index 1e5e90dad..000000000 --- a/examples/cxx/.cvsignore +++ /dev/null @@ -1,30 +0,0 @@ -Makefile -.depends -cxx_examples -eq1.csv -eq1.dat -kin1.csv -kin1.dat -kin2.csv -kin2.dat -kin3.csv -kin3.dat -rp1.dot -rp1.log -tr1.csv -tr1.dat -tr2.csv -tr2.dat -transport_log.xml -.cttmp.py -ct2ctml.log -.check.py -kin1_win.csv -kin2_win.csv -log -silane.xml -tr1win.csv -*.d -cxx_examples.exe -cxx_examples.ilk -cxx_examples.pdb diff --git a/examples/cxx/Makefile.in b/examples/cxx/Makefile.in deleted file mode 100755 index 008d0c035..000000000 --- a/examples/cxx/Makefile.in +++ /dev/null @@ -1,131 +0,0 @@ -#!/bin/sh - -############################################################################ -# -# Makefile to compile and link a C++ application to -# Cantera. -# -############################################################################# - -# the name of the executable program to be created -PROG_NAME = cxx_examples - -# the object files to be linked together. List those generated from Fortran -# and from C/C++ separately -OBJS = examples.o kinetics_example1.o kinetics_example2.o \ - kinetics_example3.o equil_example1.o \ - transport_example1.o transport_example2.o \ - rxnpath_example1.o - -# additional flags to be passed to the linker. If your program -# requires other external libraries, put them here -LINK_OPTIONS = @EXTRA_LINK@ - - -############################################################################# - -# the Fortran compiler -FORT = @F90@ - -PURIFY=@PURIFY@ - -# Fortran compile flags -FORT_FLAGS = @FFLAGS@ - -# Fortran libraries -ifeq (@build_with_f2c@, 0) -FORT_LIBS = @FLIBS@ -else -FORT_LIBS = -endif - -# the C++ compiler -CXX = @CXX@ - -# C++ compile flags -CXX_FLAGS = @CXXFLAGS@ @CXX_INCLUDES@ - -# external libraries -EXT_LIBS = @LOCAL_LIBS@ -lctcxx - -# Ending C++ linking libraries -LCXX_END_LIBS = @LCXX_END_LIBS@ - - -#------ you probably don't have to change anything below this line ----- - - -# the directory where the Cantera libraries are located -CANTERA_LIBDIR=@buildlib@ - -# required Cantera libraries -CANTERA_LIBS = @LOCAL_LIBS@ -lctcxx - -CANTERA_LIB_DEPS = $(CANTERA_LIBDIR)/libkinetics.a \ - $(CANTERA_LIBDIR)/libtransport.a \ - $(CANTERA_LIBDIR)/libthermo.a \ - $(CANTERA_LIBDIR)/libctnumerics.a \ - $(CANTERA_LIBDIR)/libctbase.a \ - $(CANTERA_LIBDIR)/libctmath.a \ - $(CANTERA_LIBDIR)/libtpx.a \ - $(CANTERA_LIBDIR)/libconverters.a - -ifeq (@build_lapack@, 1) -CANTERA_LAPACK_DEPS = $(CANTERA_LIBDIR)/libctblas.a \ - $(CANTERA_LIBDIR)/libctlapack.a -endif - -ifeq (@use_sundials@, 0) -CANTERA_CVODE_DEPS = $(CANTERA_LIBDIR)/libcvode.a -endif - -LIB_DEPS = $(CANTERA_LIB_DEPS) $(CANTERA_LAPACK_DEPS) $(CANTERA_CVODE_DEPS) - -# the directory where Cantera include files may be found. -CANTERA_INC=-I@ctroot@/build/include - -# flags passed to the C++ compiler/linker for the linking step -LCXX_FLAGS = -L$(CANTERA_LIBDIR) @LOCAL_LIB_DIRS@ @CXXFLAGS@ - -# how to compile C++ source files to object files -.@CXX_EXT@.@OBJ_EXT@: - $(PURIFY) $(CXX) -c $< $(CANTERA_INC) $(CXX_FLAGS) - -# how to compile Fortran source files to object files -.@F77_EXT@.@OBJ_EXT@: - $(PURIFY) $(FORT) -c $< $(FORT_FLAGS) - -PROGRAM = ./$(PROG_NAME)$(EXE_EXT) - -all: .depends $(PROGRAM) - -DEPENDS=$(OBJS:.o=.d) - -%.d: - @CXX_DEPENDS@ $(CANTERA_INC) $(CXX_FLAGS) $*.cpp > $*.d - -$(PROGRAM): $(OBJS) $(LIB_DEPS) - $(PURIFY) $(CXX) -o $(PROGRAM) $(OBJS) $(LCXX_FLAGS) $(CANTERA_LIBS) \ - $(LINK_OPTIONS) $(EXT_LIBS) @LIBS@ \ - $(LCXX_END_LIBS) - - -clean: - $(RM) $(OBJS) $(PROGRAM) $(DEPENDS) .depends *~ - (if test -d SunWS_cache ; then \ - $(RM) -rf SunWS_cache ; \ - fi ) - -depends: - $(MAKE) .depends - -.depends: $(DEPENDS) - cat *.d > .depends - -TAGS: - etags *.h *.cpp - -ifeq ($(wildcard .depends), .depends) -include .depends -endif - diff --git a/examples/cxx/examples.dsp b/examples/cxx/examples.dsp deleted file mode 100755 index 8cbe4ace7..000000000 --- a/examples/cxx/examples.dsp +++ /dev/null @@ -1,134 +0,0 @@ -# Microsoft Developer Studio Project File - Name="examples" - Package Owner=<4> -# Microsoft Developer Studio Generated Build File, Format Version 6.00 -# ** DO NOT EDIT ** - -# TARGTYPE "Win32 (x86) Console Application" 0x0103 - -CFG=examples - Win32 Debug -!MESSAGE This is not a valid makefile. To build this project using NMAKE, -!MESSAGE use the Export Makefile command and run -!MESSAGE -!MESSAGE NMAKE /f "examples.mak". -!MESSAGE -!MESSAGE You can specify a configuration when running NMAKE -!MESSAGE by defining the macro CFG on the command line. For example: -!MESSAGE -!MESSAGE NMAKE /f "examples.mak" CFG="examples - Win32 Debug" -!MESSAGE -!MESSAGE Possible choices for configuration are: -!MESSAGE -!MESSAGE "examples - Win32 Release" (based on "Win32 (x86) Console Application") -!MESSAGE "examples - Win32 Debug" (based on "Win32 (x86) Console Application") -!MESSAGE - -# Begin Project -# PROP AllowPerConfigDependencies 0 -# PROP Scc_ProjName "" -# PROP Scc_LocalPath "" -CPP=cl.exe -F90=df.exe -RSC=rc.exe - -!IF "$(CFG)" == "examples - Win32 Release" - -# PROP BASE Use_MFC 0 -# PROP BASE Use_Debug_Libraries 0 -# PROP BASE Output_Dir "Release" -# PROP BASE Intermediate_Dir "Release" -# PROP BASE Target_Dir "" -# PROP Use_MFC 0 -# PROP Use_Debug_Libraries 0 -# PROP Output_Dir "Release" -# PROP Intermediate_Dir "Release" -# PROP Ignore_Export_Lib 0 -# PROP Target_Dir "" -# ADD BASE F90 /compile_only /nologo /warn:nofileopt -# ADD F90 /assume:underscore /compile_only /iface:nomixed_str_len_arg /iface:cref /math_library:fast /names:lowercase /nologo /warn:nofileopt /module:"" -# SUBTRACT F90 /threads -# ADD BASE CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c -# ADD CPP /nologo /W3 /GX /O2 /Ob2 /I "../../include" /I "d:/dgg/ctcyg/include/cantera" /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c -# ADD BASE RSC /l 0x409 /d "NDEBUG" -# ADD RSC /l 0x409 /d "NDEBUG" -BSC32=bscmake.exe -# ADD BASE BSC32 /nologo -# ADD BSC32 /nologo -LINK32=link.exe -# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /machine:I386 -# ADD LINK32 dfor.lib /nologo /subsystem:console /machine:I386 /include:"__matherr" /out:"../../bin/examples.exe" /libpath:"../../lib" -# SUBTRACT LINK32 /profile /nodefaultlib - -!ELSEIF "$(CFG)" == "examples - Win32 Debug" - -# PROP BASE Use_MFC 0 -# PROP BASE Use_Debug_Libraries 1 -# PROP BASE Output_Dir "Debug" -# PROP BASE Intermediate_Dir "Debug" -# PROP BASE Target_Dir "" -# PROP Use_MFC 0 -# PROP Use_Debug_Libraries 1 -# PROP Output_Dir "Debug" -# PROP Intermediate_Dir "Debug" -# PROP Ignore_Export_Lib 0 -# PROP Target_Dir "" -# ADD BASE F90 /check:bounds /compile_only /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt -# ADD F90 /assume:underscore /check:bounds /compile_only /dbglibs /debug:full /iface:nomixed_str_len_arg /iface:cref /names:lowercase /nologo /traceback /warn:argument_checking /warn:nofileopt /module:"" -# SUBTRACT F90 /threads -# ADD BASE CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c -# ADD CPP /nologo /W3 /Gm /GX /ZI /Od /I "../../include" /I "../../Cantera/src" /I "../../Cantera/cxx/src" /I "../.." /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c -# ADD BASE RSC /l 0x409 /d "_DEBUG" -# ADD RSC /l 0x409 /d "_DEBUG" -BSC32=bscmake.exe -# ADD BASE BSC32 /nologo -# ADD BSC32 /nologo -LINK32=link.exe -# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept -# ADD LINK32 kernel32.lib user32.lib cantera_d.lib ckreader_d.lib ctmath_d.lib ctlapack_d.lib ctblas_d.lib cvode_d.lib recipes_d.lib dfor.lib /nologo /subsystem:console /incremental:no /debug /machine:I386 /out:"../../bin/examples.exe" /pdbtype:sept /libpath:"../../lib" - -!ENDIF - -# Begin Target - -# Name "examples - Win32 Release" -# Name "examples - Win32 Debug" -# Begin Group "Source Files" - -# PROP Default_Filter "cpp;c;cxx;rc;def;r;odl;idl;hpj;bat;f90;for;f;fpp" -# Begin Source File - -SOURCE=.\equil_example1.cpp -# End Source File -# Begin Source File - -SOURCE=.\examples.cpp -# End Source File -# Begin Source File - -SOURCE=.\kinetics_example1.cpp -# End Source File -# Begin Source File - -SOURCE=.\kinetics_example2.cpp -# End Source File -# Begin Source File - -SOURCE=.\rxnpath_example1.cpp -# End Source File -# Begin Source File - -SOURCE=.\transport_example1.cpp -# End Source File -# Begin Source File - -SOURCE=.\transport_example2.cpp -# End Source File -# End Group -# Begin Group "Header Files" - -# PROP Default_Filter "h;hpp;hxx;hm;inl;fi;fd" -# End Group -# Begin Group "Resource Files" - -# PROP Default_Filter "ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe" -# End Group -# End Target -# End Project diff --git a/examples/cxx/flame1.cpp b/examples/cxx/flame1.cpp deleted file mode 100644 index 2e21318ec..000000000 --- a/examples/cxx/flame1.cpp +++ /dev/null @@ -1,60 +0,0 @@ - -#include "/Applications/Cantera/include/cantera/Cantera.h" -#include "cantera/IdealGasMix.h" -#include "cantera/transport.h" - -int main() { - - // create the gas object - - IdealGasMix gas("gri30.cti"); - doublereal temp = 500.0; - doublereal pres = 2.0*OneAtm; - gas.setState_TPX(temp, pres, "CH4:1.0, O2:2.0, N2:7.52"); - - // create a transport manager that implements - // mixture-averaged transport properties - - Transport* tr = newTransportMgr("Mix", &gas); - - - //============= build each domain ======================== - - - //-------- step 1: create the stagnation flow ------------- - - StFlow flow(&gas); - - // create an initial grid - doublereal z[] = {0.0, 0.05, 0.1, 0.15, 0.2}; - flow.setupGrid(5, z); - - // specify the objects to use to compute kinetic rates and - // transport properties - flow.setKinetics(&gas); - flow.setTransport(&tr); - - flow.setPressure(0.05*OneAtm); - - - - //------- step 2: create the inlet ----------------------- - - Inlet1D inlet; - inlet.setMoleFractions("CH4:1, O2:2, N2:7.52"); - inlet.setMdot(0.1); - - - //------- step 3: create the surface --------------------- - - Surf1D surf; - - //=================== create the container and insert the domains ===== - - vector domains; - domains.push_back(inlet); - domains.push_back(flow); - domains.push_back(surf); - - OneDim flamesim(domains); -} diff --git a/examples/cxx/gri30.xml b/examples/cxx/gri30.xml deleted file mode 100644 index 49e95139e..000000000 --- a/examples/cxx/gri30.xml +++ /dev/null @@ -1,6213 +0,0 @@ - - - - - - - O H C N Ar - - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - 300.0 - 101325.0 - - - - - - - - - O H C N Ar - - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - 300.0 - 101325.0 - - - - - - - - - O H C N Ar - - H2 H O O2 OH H2O HO2 H2O2 C CH - CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O - CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH - N NH NH2 NH3 NNH NO NO2 N2O HNO CN - HCN H2CN HCNN HCNO HOCN HNCO NCO N2 AR C3H7 - C3H8 CH2CHO CH3CHO - - - 300.0 - 101325.0 - - - - - - - - - - - - H:2 - TPIS78 - - - - 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, - -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 - - - - 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, - 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 - - - - linear - 38.000 - 2.920 - 0.000 - 0.790 - 280.000 - - - - - - H:1 - L 7/88 - - - - 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, - -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 - - - - 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, - 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 - - - - atom - 145.000 - 2.050 - 0.000 - 0.000 - 0.000 - - - - - - O:1 - L 1/90 - - - - 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, - 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 - - - - 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, - 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 - - - - atom - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - O:2 - TPIS89 - - - - 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, - 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 - - - - 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, - -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 - - - - linear - 107.400 - 3.460 - 0.000 - 1.600 - 3.800 - - - - - - H:1 O:1 - RUS 78 - - - - 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, - 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 - - - - 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, - 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 O:1 - L 8/89 - - - - 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, - 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 - - - - 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, - 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 - - - - nonlinear - 572.400 - 2.600 - 1.840 - 0.000 - 4.000 - - - - - - H:1 O:2 - L 5/89 - - - - 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, - 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 - - - - 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, - -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 1.000 - - - - - - H:2 O:2 - L 7/88 - - - - 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, - 8.624543630E-12, -1.770258210E+04, 3.435050740E+00 - - - - 4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10, - -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 - - - - nonlinear - 107.400 - 3.460 - 0.000 - 0.000 - 3.800 - - - - - - C:1 - L11/88 - - - - 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, - 2.665214460E-13, 8.544388320E+04, 4.531308480E+00 - - - - 2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11, - -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 - - - - atom - 71.400 - 3.300 - 0.000 - 0.000 - 0.000 - - - - - - H:1 C:1 - TPIS79 - - - - 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, - -1.406090670E-12, 7.079729340E+04, 2.084011080E+00 - - - - 2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10, - 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 - - - - linear - 80.000 - 2.750 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, - 1.687417190E-12, 4.600404010E+04, 1.562531850E+00 - - - - 2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10, - -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:2 C:1 - L S/93 - - - - 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, - 1.943147370E-12, 5.049681630E+04, -7.691189670E-01 - - - - 2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10, - -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:3 C:1 - L11/89 - - - - 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, - 2.543857340E-12, 1.644499880E+04, 1.604564330E+00 - - - - 2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10, - -4.671543940E-14, 1.677558430E+04, 8.480071790E+00 - - - - linear - 144.000 - 3.800 - 0.000 - 0.000 - 0.000 - - - - - - H:4 C:1 - L 8/88 - - - - 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, - 1.666939560E-11, -1.024664760E+04, -4.641303760E+00 - - - - 7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09, - -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 - 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-1.496415760E-13, 1.285752000E+04, 1.346243430E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:6 C:2 - L 8/88 - - - - 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, - 2.686857710E-11, -1.152220550E+04, 2.666823160E+00 - - - - 1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09, - -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 - - - - nonlinear - 252.300 - 4.300 - 0.000 - 0.000 - 1.500 - - - - - - H:1 C:2 O:1 - SRIC91 - - - - 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, - -5.066481100E-12, 2.005944900E+04, 1.249041700E+01 - - - - 5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10, - -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:2 O:1 - L 5/90 - - - - 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, - -2.014576150E-12, -7.042918040E+03, 1.221564800E+01 - - - - 4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10, - 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-1.009189600E-14, 2.865069700E+04, 4.470506700E+00 - - - - nonlinear - 71.400 - 3.800 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:1 - RUS 78 - - - - 4.218476300E+00, -4.638976000E-03, 1.104102200E-05, -9.336135400E-09, - 2.803577000E-12, 9.844623000E+03, 2.280846400E+00 - - - - 3.260605600E+00, 1.191104300E-03, -4.291704800E-07, 6.945766900E-11, - -4.033609900E-15, 9.920974600E+03, 6.369302700E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - O:2 N:1 - L 7/88 - - - - 3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08, - 7.835056400E-12, 2.896617900E+03, 6.311991700E+00 - - - - 4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10, - -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 - - - - nonlinear - 200.000 - 3.500 - 0.000 - 0.000 - 1.000 - - - - - - O:1 N:2 - L 7/88 - - - - 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, - -2.930718200E-12, 8.741774400E+03, 1.075799200E+01 - - - - 4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10, - 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-9.799757000E-15, 1.440729200E+04, 1.575460100E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:2 C:1 N:1 - 41687 - - - - 2.851661000E+00, 5.695233100E-03, 1.071140000E-06, -1.622612000E-09, - -2.351108100E-13, 2.863782000E+04, 8.992751100E+00 - - - - 5.209703000E+00, 2.969291100E-03, -2.855589100E-07, -1.635550000E-10, - 3.043258900E-14, 2.767710900E+04, -4.444478000E+00 - - - - linear - 569.000 - 3.630 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 N:2 - SRI/94 - - - - 2.524319400E+00, 1.596061900E-02, -1.881635400E-05, 1.212554000E-08, - -3.235737800E-12, 5.426198400E+04, 1.167587000E+01 - - - - 5.894636200E+00, 3.989595900E-03, -1.598238000E-06, 2.924939500E-10, - -2.009468600E-14, 5.345294100E+04, -5.103050200E+00 - - - - nonlinear - 150.000 - 2.500 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, - -7.575214660E-13, 1.929902520E+04, 1.073329720E+01 - - - - 6.598604560E+00, 3.027786260E-03, -1.077043460E-06, 1.716665280E-10, - -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, - 1.193607880E-14, -2.826984000E+03, 5.632921620E+00 - - - - 5.897848850E+00, 3.167893930E-03, -1.118010640E-06, 1.772431440E-10, - -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - H:1 C:1 O:1 N:1 - BDEA94 - - - - 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, - 3.622357520E-13, -1.558736360E+04, 6.194577270E+00 - - - - 6.223951340E+00, 3.178640040E-03, -1.093787550E-06, 1.707351630E-10, - -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 - - - - nonlinear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - C:1 O:1 N:1 - EA 93 - - - - 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, - -1.331359500E-12, 1.468247700E+04, 9.550464600E+00 - - - - 5.152184500E+00, 2.305176100E-03, -8.803315300E-07, 1.478909800E-10, - -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 - - - - linear - 232.400 - 3.830 - 0.000 - 0.000 - 1.000 - - - - - - N:2 - 121286 - - - - 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, - -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 - - - - 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, - -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 - - - - linear - 97.530 - 3.620 - 0.000 - 1.760 - 4.000 - - - - - - Ar:1 - 120186 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, - 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 - - - - atom - 136.500 - 3.330 - 0.000 - 0.000 - 0.000 - - - - - - H:7 C:3 - L 9/84 - - - - 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, - 9.373247000E-12, 1.063186300E+04, 2.112255900E+01 - - - - 7.702698700E+00, 1.604420300E-02, -5.283322000E-06, 7.629859000E-10, - -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:8 C:3 - L 4/85 - - - - 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, - 9.514925300E-12, -1.395852000E+04, 1.920169100E+01 - - - - 7.534136800E+00, 1.887223900E-02, -6.271849100E-06, 9.147564900E-10, - -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 - - - - nonlinear - 266.800 - 4.980 - 0.000 - 0.000 - 1.000 - - - - - - H:3 C:2 O:1 - SAND86 - - - - 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, - 2.867385000E-12, 1.521476600E+03, 9.558290000E+00 - - - - 5.975670000E+00, 8.130591000E-03, -2.743624000E-06, 4.070304000E-10, - -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - H:4 C:2 O:1 - L 8/88 - - - - 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, - 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 - - - - 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, - -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 - - - - nonlinear - 436.000 - 3.970 - 0.000 - 0.000 - 2.000 - - - - - - - - 2 O + M [=] O2 + M - - - 1.200000E+11 - -1 - 0.000000 - - AR:0.83 C2H6:3 CH4:2 CO:1.75 CO2:3.6 H2:2.4 H2O:15.4 - - O:2.0 - O2:1.0 - - - - - O + H + M [=] OH + M - - - 5.000000E+11 - -1 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1 O:1.0 - OH:1.0 - - - - - O + H2 [=] H + OH - - - 3.870000E+01 - 2.7000000000000002 - 6260.000000 - - - H2:1 O:1.0 - H:1.0 OH:1 - - - - - O + HO2 [=] OH + O2 - - - 2.000000E+10 - 0 - 0.000000 - - - HO2:1 O:1.0 - O2:1 OH:1.0 - - - - - O + H2O2 [=] OH + HO2 - - - 9.630000E+03 - 2 - 4000.000000 - - - H2O2:1 O:1.0 - HO2:1 OH:1.0 - - - - - O + CH [=] H + CO - - - 5.700000E+10 - 0 - 0.000000 - - - CH:1 O:1.0 - H:1.0 CO:1 - - - - - O + CH2 [=] H + HCO - - - 8.000000E+10 - 0 - 0.000000 - - - CH2:1 O:1.0 - H:1.0 HCO:1 - - - - - O + CH2(S) [=] H2 + CO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1.0 - H2:1.0 CO:1 - - - - - O + CH2(S) [=] H + HCO - - - 1.500000E+10 - 0 - 0.000000 - - - CH2(S):1 O:1.0 - H:1.0 HCO:1 - - - - - O + CH3 [=] H + CH2O - - - 5.060000E+10 - 0 - 0.000000 - - - CH3:1 O:1.0 - CH2O:1 H:1.0 - - - - - O + CH4 [=] OH + CH3 - - - 1.020000E+06 - 1.5 - 8600.000000 - - - CH4:1 O:1.0 - CH3:1 OH:1.0 - - - - - O + CO (+ M) [=] CO2 (+ M) - - - 1.800000E+07 - 0 - 2385.000000 - - - 6.020000E+08 - 0 - 3000.000000 - - AR:0.5 C2H6:3 CH4:2 CO:1.5 CO2:3.5 H2:2 H2O:6 O2:6 - - - CO:1 O:1.0 - CO2:1.0 - - - - - O + HCO [=] OH + CO - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1.0 - CO:1 OH:1.0 - - - - - O + HCO [=] H + CO2 - - - 3.000000E+10 - 0 - 0.000000 - - - HCO:1 O:1.0 - H:1.0 CO2:1 - - - - - O + CH2O [=] OH + HCO - - - 3.900000E+10 - 0 - 3540.000000 - - - CH2O:1 O:1.0 - HCO:1 OH:1.0 - - - - - O + CH2OH [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH2OH:1 O:1.0 - CH2O:1 OH:1.0 - - - - - O + CH3O [=] OH + CH2O - - - 1.000000E+10 - 0 - 0.000000 - - - CH3O:1 O:1.0 - CH2O:1 OH:1.0 - - - - - O + CH3OH [=] OH + CH2OH - - - 3.880000E+02 - 2.5 - 3100.000000 - - - CH3OH:1 O:1.0 - CH2OH:1 OH:1.0 - - - - - O + CH3OH [=] OH + CH3O - - - 1.300000E+02 - 2.5 - 5000.000000 - - - CH3OH:1 O:1.0 - CH3O:1 OH:1.0 - - - - - O + C2H [=] CH + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C2H:1 O:1.0 - CH:1.0 CO:1 - - - - - O + C2H2 [=] H + HCCO - - - 1.350000E+04 - 2 - 1900.000000 - - - C2H2:1 O:1.0 - H:1.0 HCCO:1 - - - - - O + C2H2 [=] OH + C2H - - - 4.600000E+16 - -1.4099999999999999 - 28950.000000 - - - C2H2:1 O:1.0 - C2H:1 OH:1.0 - - - - - O + C2H2 [=] CO + CH2 - - - 6.940000E+03 - 2 - 1900.000000 - - - C2H2:1 O:1.0 - CH2:1 CO:1.0 - - - - - O + C2H3 [=] H + CH2CO - - - 3.000000E+10 - 0 - 0.000000 - - - C2H3:1 O:1.0 - H:1.0 CH2CO:1 - - - - - O + C2H4 [=] CH3 + HCO - - - 1.250000E+04 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1.0 - CH3:1.0 HCO:1 - - - - - O + C2H5 [=] CH3 + CH2O - - - 2.240000E+10 - 0 - 0.000000 - - - C2H5:1 O:1.0 - CH2O:1 CH3:1.0 - - - - - O + C2H6 [=] OH + C2H5 - - - 8.980000E+04 - 1.9199999999999999 - 5690.000000 - - - C2H6:1 O:1.0 - C2H5:1 OH:1.0 - - - - - O + HCCO [=] H + 2 CO - - - 1.000000E+11 - 0 - 0.000000 - - - HCCO:1 O:1.0 - H:1.0 CO:2.0 - - - - - O + CH2CO [=] OH + HCCO - - - 1.000000E+10 - 0 - 8000.000000 - - - CH2CO:1 O:1.0 - HCCO:1 OH:1.0 - - - - - O + CH2CO [=] CH2 + CO2 - - - 1.750000E+09 - 0 - 1350.000000 - - - CH2CO:1 O:1.0 - CH2:1.0 CO2:1 - - - - - O2 + CO [=] O + CO2 - - - 2.500000E+09 - 0 - 47800.000000 - - - CO:1 O2:1.0 - CO2:1 O:1.0 - - - - - O2 + CH2O [=] HO2 + HCO - - - 1.000000E+11 - 0 - 40000.000000 - - - CH2O:1 O2:1.0 - HO2:1.0 HCO:1 - - - - - H + O2 + M [=] HO2 + M - - - 2.800000E+12 - -0.85999999999999999 - 0.000000 - - AR:0 C2H6:1.5 CO:0.75 CO2:1.5 H2O:0 N2:0 O2:0 - - H:1.0 O2:1 - HO2:1.0 - - - - - H + 2 O2 [=] HO2 + O2 - - - 2.080000E+13 - -1.24 - 0.000000 - - - H:1.0 O2:2.0 - HO2:1.0 O2:1 - - - - - H + O2 + H2O [=] HO2 + H2O - - - 1.126000E+13 - -0.76000000000000001 - 0.000000 - - - H:1.0 H2O:1 O2:1 - H2O:1 HO2:1.0 - - - - - H + O2 + N2 [=] HO2 + N2 - - - 2.600000E+13 - -1.24 - 0.000000 - - - H:1.0 N2:1 O2:1 - N2:1 HO2:1.0 - - - - - H + O2 + AR [=] HO2 + AR - - - 7.000000E+11 - -0.80000000000000004 - 0.000000 - - - H:1.0 AR:1 O2:1 - AR:1 HO2:1.0 - - - - - H + O2 [=] O + OH - - - 2.650000E+13 - -0.67069999999999996 - 17041.000000 - - - H:1.0 O2:1 - O:1.0 OH:1 - - - - - 2 H + M [=] H2 + M - - - 1.000000E+12 - -1 - 0.000000 - - AR:0.63 C2H6:3 CH4:2 CO2:0 H2:0 H2O:0 - - H:2.0 - H2:1.0 - - - - - 2 H + H2 [=] 2 H2 - - - 9.000000E+10 - -0.59999999999999998 - 0.000000 - - - H2:1 H:2.0 - H2:2.0 - - - - - 2 H + H2O [=] H2 + H2O - - - 6.000000E+13 - -1.25 - 0.000000 - - - H:2.0 H2O:1 - H2:1.0 H2O:1 - - - - - 2 H + CO2 [=] H2 + CO2 - - - 5.500000E+14 - -2 - 0.000000 - - - H:2.0 CO2:1 - H2:1.0 CO2:1 - - - - - H + OH + M [=] H2O + M - - - 2.200000E+16 - -2 - 0.000000 - - AR:0.38 C2H6:3 CH4:2 H2:0.73 H2O:3.65 - - H:1.0 OH:1 - H2O:1.0 - - - - - H + HO2 [=] O + H2O - - - 3.970000E+09 - 0 - 671.000000 - - - H:1.0 HO2:1 - H2O:1 O:1.0 - - - - - H + HO2 [=] O2 + H2 - - - 4.480000E+10 - 0 - 1068.000000 - - - H:1.0 HO2:1 - H2:1 O2:1.0 - - - - - H + HO2 [=] 2 OH - - - 8.400000E+10 - 0 - 635.000000 - - - H:1.0 HO2:1 - OH:2.0 - - - - - H + H2O2 [=] HO2 + H2 - - - 1.210000E+04 - 2 - 5200.000000 - - - H:1.0 H2O2:1 - H2:1 HO2:1.0 - - - - - H + H2O2 [=] OH + H2O - - - 1.000000E+10 - 0 - 3600.000000 - - - H:1.0 H2O2:1 - H2O:1 OH:1.0 - - - - - H + CH [=] C + H2 - - - 1.650000E+11 - 0 - 0.000000 - - - H:1.0 CH:1 - H2:1 C:1.0 - - - - - H + CH2 (+ M) [=] CH3 (+ M) - - - 6.000000E+11 - 0 - 0.000000 - - - 1.040000E+20 - -2.7599999999999998 - 1600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.562 91 5836 8552 - - H:1.0 CH2:1 - CH3:1.0 - - - - - H + CH2(S) [=] CH + H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1.0 CH2(S):1 - H2:1 CH:1.0 - - - - - H + CH3 (+ M) [=] CH4 (+ M) - - - 1.390000E+13 - -0.53400000000000003 - 536.000000 - - - 2.620000E+27 - -4.7599999999999998 - 2440.000000 - - AR:0.7 C2H6:3 CH4:3 CO:1.5 CO2:2 H2:2 H2O:6 - 0.783 74 2941 6964 - - H:1.0 CH3:1 - CH4:1.0 - - - - - H + CH4 [=] CH3 + H2 - - - 6.600000E+05 - 1.6200000000000001 - 10840.000000 - - - H:1.0 CH4:1 - H2:1 CH3:1.0 - - - - - H + HCO (+ M) [=] CH2O (+ M) - - - 1.090000E+09 - 0.47999999999999998 - -260.000000 - - - 2.470000E+18 - -2.5699999999999998 - 425.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7824 271 2755 6570 - - H:1.0 HCO:1 - CH2O:1.0 - - - - - H + HCO [=] H2 + CO - - - 7.340000E+10 - 0 - 0.000000 - - - H:1.0 HCO:1 - H2:1.0 CO:1 - - - - - H + CH2O (+ M) [=] CH2OH (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 3600.000000 - - - 1.270000E+26 - -4.8200000000000003 - 6530.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7187 103 1291 4160 - - CH2O:1 H:1.0 - CH2OH:1.0 - - - - - H + CH2O (+ M) [=] CH3O (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 2600.000000 - - - 2.200000E+24 - -4.7999999999999998 - 5560.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.758 94 1555 4200 - - CH2O:1 H:1.0 - CH3O:1.0 - - - - - H + CH2O [=] HCO + H2 - - - 5.740000E+04 - 1.8999999999999999 - 2742.000000 - - - CH2O:1 H:1.0 - H2:1 HCO:1.0 - - - - - H + CH2OH (+ M) [=] CH3OH (+ M) - - - 1.055000E+09 - 0.5 - 86.000000 - - - 4.360000E+25 - -4.6500000000000004 - 5080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6 100 90000 10000 - - H:1.0 CH2OH:1 - CH3OH:1.0 - - - - - H + CH2OH [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1.0 CH2OH:1 - H2:1.0 CH2O:1 - - - - - H + CH2OH [=] OH + CH3 - - - 1.650000E+08 - 0.65000000000000002 - -284.000000 - - - H:1.0 CH2OH:1 - CH3:1 OH:1.0 - - - - - H + CH2OH [=] CH2(S) + H2O - - - 3.280000E+10 - -0.089999999999999997 - 610.000000 - - - H:1.0 CH2OH:1 - CH2(S):1.0 H2O:1 - - - - - H + CH3O (+ M) [=] CH3OH (+ M) - - - 2.430000E+09 - 0.51500000000000001 - 50.000000 - - - 4.660000E+35 - -7.4400000000000004 - 14080.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7 100 90000 10000 - - H:1.0 CH3O:1 - CH3OH:1.0 - - - - - H + CH3O [=] H + CH2OH - - - 4.150000E+04 - 1.6299999999999999 - 1924.000000 - - - H:1.0 CH3O:1 - H:1.0 CH2OH:1 - - - - - H + CH3O [=] H2 + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - H:1.0 CH3O:1 - H2:1.0 CH2O:1 - - - - - H + CH3O [=] OH + CH3 - - - 1.500000E+09 - 0.5 - -110.000000 - - - H:1.0 CH3O:1 - CH3:1 OH:1.0 - - - - - H + CH3O [=] CH2(S) + H2O - - - 2.620000E+11 - -0.23000000000000001 - 1070.000000 - - - H:1.0 CH3O:1 - CH2(S):1.0 H2O:1 - - - - - H + CH3OH [=] CH2OH + H2 - - - 1.700000E+04 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1.0 - H2:1 CH2OH:1.0 - - - - - H + CH3OH [=] CH3O + H2 - - - 4.200000E+03 - 2.1000000000000001 - 4870.000000 - - - CH3OH:1 H:1.0 - H2:1 CH3O:1.0 - - - - - H + C2H (+ M) [=] C2H2 (+ M) - - - 1.000000E+14 - -1 - 0.000000 - - - 3.750000E+27 - -4.7999999999999998 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6464 132 1315 5566 - - H:1.0 C2H:1 - C2H2:1.0 - - - - - H + C2H2 (+ M) [=] C2H3 (+ M) - - - 5.600000E+09 - 0 - 2400.000000 - - - 3.800000E+34 - -7.2699999999999996 - 7220.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7507 98.5 1302 4167 - - H:1.0 C2H2:1 - C2H3:1.0 - - - - - H + C2H3 (+ M) [=] C2H4 (+ M) - - - 6.080000E+09 - 0.27000000000000002 - 280.000000 - - - 1.400000E+24 - -3.8599999999999999 - 3320.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.782 207.5 2663 6095 - - H:1.0 C2H3:1 - C2H4:1.0 - - - - - H + C2H3 [=] H2 + C2H2 - - - 3.000000E+10 - 0 - 0.000000 - - - H:1.0 C2H3:1 - H2:1.0 C2H2:1 - - - - - H + C2H4 (+ M) [=] C2H5 (+ M) - - - 5.400000E+08 - 0.45400000000000001 - 1820.000000 - - - 6.000000E+35 - -7.6200000000000001 - 6970.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.9753 210 984 4374 - - H:1.0 C2H4:1 - C2H5:1.0 - - - - - H + C2H4 [=] C2H3 + H2 - - - 1.325000E+03 - 2.5299999999999998 - 12240.000000 - - - H:1.0 C2H4:1 - H2:1 C2H3:1.0 - - - - - H + C2H5 (+ M) [=] C2H6 (+ M) - - - 5.210000E+14 - -0.98999999999999999 - 1580.000000 - - - 1.990000E+35 - -7.0800000000000001 - 6685.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.8422 125 2219 6882 - - H:1.0 C2H5:1 - C2H6:1.0 - - - - - H + C2H5 [=] H2 + C2H4 - - - 2.000000E+09 - 0 - 0.000000 - - - H:1.0 C2H5:1 - H2:1.0 C2H4:1 - - - - - H + C2H6 [=] C2H5 + H2 - - - 1.150000E+05 - 1.8999999999999999 - 7530.000000 - - - H:1.0 C2H6:1 - H2:1 C2H5:1.0 - - - - - H + HCCO [=] CH2(S) + CO - - - 1.000000E+11 - 0 - 0.000000 - - - H:1.0 HCCO:1 - CH2(S):1.0 CO:1 - - - - - H + CH2CO [=] HCCO + H2 - - - 5.000000E+10 - 0 - 8000.000000 - - - H:1.0 CH2CO:1 - H2:1 HCCO:1.0 - - - - - H + CH2CO [=] CH3 + CO - - - 1.130000E+10 - 0 - 3428.000000 - - - H:1.0 CH2CO:1 - CH3:1.0 CO:1 - - - - - H + HCCOH [=] H + CH2CO - - - 1.000000E+10 - 0 - 0.000000 - - - H:1.0 HCCOH:1 - H:1.0 CH2CO:1 - - - - - H2 + CO (+ M) [=] CH2O (+ M) - - - 4.300000E+04 - 1.5 - 79600.000000 - - - 5.070000E+21 - -3.4199999999999999 - 84350.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.932 197 1540 10300 - - H2:1.0 CO:1 - CH2O:1.0 - - - - - OH + H2 [=] H + H2O - - - 2.160000E+05 - 1.51 - 3430.000000 - - - H2:1 OH:1.0 - H:1.0 H2O:1 - - - - - 2 OH (+ M) [=] H2O2 (+ M) - - - 7.400000E+10 - -0.37 - 0.000000 - - - 2.300000E+12 - -0.90000000000000002 - -1700.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7346 94 1756 5182 - - OH:2.0 - H2O2:1.0 - - - - - 2 OH [=] O + H2O - - - 3.570000E+01 - 2.3999999999999999 - -2110.000000 - - - OH:2.0 - H2O:1 O:1.0 - - - - - OH + HO2 [=] O2 + H2O - - - 1.450000E+10 - 0 - -500.000000 - - - HO2:1 OH:1.0 - H2O:1 O2:1.0 - - - - - OH + H2O2 [=] HO2 + H2O - - - 2.000000E+09 - 0 - 427.000000 - - - H2O2:1 OH:1.0 - H2O:1 HO2:1.0 - - - - - OH + H2O2 [=] HO2 + H2O - - - 1.700000E+15 - 0 - 29410.000000 - - - H2O2:1 OH:1.0 - H2O:1 HO2:1.0 - - - - - OH + C [=] H + CO - - - 5.000000E+10 - 0 - 0.000000 - - - C:1 OH:1.0 - H:1.0 CO:1 - - - - - OH + CH [=] H + HCO - - - 3.000000E+10 - 0 - 0.000000 - - - CH:1 OH:1.0 - H:1.0 HCO:1 - - - - - OH + CH2 [=] H + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 OH:1.0 - CH2O:1 H:1.0 - - - - - OH + CH2 [=] CH + H2O - - - 1.130000E+04 - 2 - 3000.000000 - - - CH2:1 OH:1.0 - H2O:1 CH:1.0 - - - - - OH + CH2(S) [=] H + CH2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1 OH:1.0 - CH2O:1 H:1.0 - - - - - OH + CH3 (+ M) [=] CH3OH (+ M) - - - 2.790000E+15 - -1.4299999999999999 - 1330.000000 - - - 4.000000E+30 - -5.9199999999999999 - 3140.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.412 195 5900 6394 - - CH3:1 OH:1.0 - CH3OH:1.0 - - - - - OH + CH3 [=] CH2 + H2O - - - 5.600000E+04 - 1.6000000000000001 - 5420.000000 - - - CH3:1 OH:1.0 - CH2:1.0 H2O:1 - - - - - OH + CH3 [=] CH2(S) + H2O - - - 6.440000E+14 - -1.3400000000000001 - 1417.000000 - - - CH3:1 OH:1.0 - CH2(S):1.0 H2O:1 - - - - - OH + CH4 [=] CH3 + H2O - - - 1.000000E+05 - 1.6000000000000001 - 3120.000000 - - - CH4:1 OH:1.0 - H2O:1 CH3:1.0 - - - - - OH + CO [=] H + CO2 - - - 4.760000E+04 - 1.228 - 70.000000 - - - CO:1 OH:1.0 - H:1.0 CO2:1 - - - - - OH + HCO [=] H2O + CO - - - 5.000000E+10 - 0 - 0.000000 - - - HCO:1 OH:1.0 - H2O:1.0 CO:1 - - - - - OH + CH2O [=] HCO + H2O - - - 3.430000E+06 - 1.1799999999999999 - -447.000000 - - - CH2O:1 OH:1.0 - H2O:1 HCO:1.0 - - - - - OH + CH2OH [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH2OH:1 OH:1.0 - CH2O:1 H2O:1.0 - - - - - OH + CH3O [=] H2O + CH2O - - - 5.000000E+09 - 0 - 0.000000 - - - CH3O:1 OH:1.0 - CH2O:1 H2O:1.0 - - - - - OH + CH3OH [=] CH2OH + H2O - - - 1.440000E+03 - 2 - -840.000000 - - - CH3OH:1 OH:1.0 - CH2OH:1.0 H2O:1 - - - - - OH + CH3OH [=] CH3O + H2O - - - 6.300000E+03 - 2 - 1500.000000 - - - CH3OH:1 OH:1.0 - H2O:1 CH3O:1.0 - - - - - OH + C2H [=] H + HCCO - - - 2.000000E+10 - 0 - 0.000000 - - - C2H:1 OH:1.0 - H:1.0 HCCO:1 - - - - - OH + C2H2 [=] H + CH2CO - - - 2.180000E-07 - 4.5 - -1000.000000 - - - C2H2:1 OH:1.0 - H:1.0 CH2CO:1 - - - - - OH + C2H2 [=] H + HCCOH - - - 5.040000E+02 - 2.2999999999999998 - 13500.000000 - - - C2H2:1 OH:1.0 - H:1.0 HCCOH:1 - - - - - OH + C2H2 [=] C2H + H2O - - - 3.370000E+04 - 2 - 14000.000000 - - - C2H2:1 OH:1.0 - C2H:1.0 H2O:1 - - - - - OH + C2H2 [=] CH3 + CO - - - 4.830000E-07 - 4 - -2000.000000 - - - C2H2:1 OH:1.0 - CH3:1.0 CO:1 - - - - - OH + C2H3 [=] H2O + C2H2 - - - 5.000000E+09 - 0 - 0.000000 - - - C2H3:1 OH:1.0 - H2O:1.0 C2H2:1 - - - - - OH + C2H4 [=] C2H3 + H2O - - - 3.600000E+03 - 2 - 2500.000000 - - - C2H4:1 OH:1.0 - H2O:1 C2H3:1.0 - - - - - OH + C2H6 [=] C2H5 + H2O - - - 3.540000E+03 - 2.1200000000000001 - 870.000000 - - - C2H6:1 OH:1.0 - C2H5:1.0 H2O:1 - - - - - OH + CH2CO [=] HCCO + H2O - - - 7.500000E+09 - 0 - 2000.000000 - - - CH2CO:1 OH:1.0 - H2O:1 HCCO:1.0 - - - - - 2 HO2 [=] O2 + H2O2 - - - 1.300000E+08 - 0 - -1630.000000 - - - HO2:2.0 - O2:1.0 H2O2:1 - - - - - 2 HO2 [=] O2 + H2O2 - - - 4.200000E+11 - 0 - 12000.000000 - - - HO2:2.0 - O2:1.0 H2O2:1 - - - - - HO2 + CH2 [=] OH + CH2O - - - 2.000000E+10 - 0 - 0.000000 - - - CH2:1 HO2:1.0 - CH2O:1 OH:1.0 - - - - - HO2 + CH3 [=] O2 + CH4 - - - 1.000000E+09 - 0 - 0.000000 - - - CH3:1 HO2:1.0 - CH4:1 O2:1.0 - - - - - HO2 + CH3 [=] OH + CH3O - - - 3.780000E+10 - 0 - 0.000000 - - - CH3:1 HO2:1.0 - CH3O:1 OH:1.0 - - - - - HO2 + CO [=] OH + CO2 - - - 1.500000E+11 - 0 - 23600.000000 - - - CO:1 HO2:1.0 - CO2:1 OH:1.0 - - - - - HO2 + CH2O [=] HCO + H2O2 - - - 5.600000E+03 - 2 - 12000.000000 - - - CH2O:1 HO2:1.0 - HCO:1.0 H2O2:1 - - - - - C + O2 [=] O + CO - - - 5.800000E+10 - 0 - 576.000000 - - - C:1.0 O2:1 - CO:1 O:1.0 - - - - - C + CH2 [=] H + C2H - - - 5.000000E+10 - 0 - 0.000000 - - - C:1.0 CH2:1 - H:1.0 C2H:1 - - - - - C + CH3 [=] H + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - C:1.0 CH3:1 - H:1.0 C2H2:1 - - - - - CH + O2 [=] O + HCO - - - 6.710000E+10 - 0 - 0.000000 - - - CH:1.0 O2:1 - HCO:1 O:1.0 - - - - - CH + H2 [=] H + CH2 - - - 1.080000E+11 - 0 - 3110.000000 - - - H2:1 CH:1.0 - H:1.0 CH2:1 - - - - - CH + H2O [=] H + CH2O - - - 5.710000E+09 - 0 - -755.000000 - - - H2O:1 CH:1.0 - CH2O:1 H:1.0 - - - - - CH + CH2 [=] H + C2H2 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1 CH:1.0 - H:1.0 C2H2:1 - - - - - CH + CH3 [=] H + C2H3 - - - 3.000000E+10 - 0 - 0.000000 - - - CH3:1 CH:1.0 - H:1.0 C2H3:1 - - - - - CH + CH4 [=] H + C2H4 - - - 6.000000E+10 - 0 - 0.000000 - - - CH:1.0 CH4:1 - H:1.0 C2H4:1 - - - - - CH + CO (+ M) [=] HCCO (+ M) - - - 5.000000E+10 - 0 - 0.000000 - - - 2.690000E+22 - -3.7400000000000002 - 1936.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5757 237 1652 5069 - - CH:1.0 CO:1 - HCCO:1.0 - - - - - CH + CO2 [=] HCO + CO - - - 1.900000E+11 - 0 - 15792.000000 - - - CH:1.0 CO2:1 - CO:1 HCO:1.0 - - - - - CH + CH2O [=] H + CH2CO - - - 9.460000E+10 - 0 - -515.000000 - - - CH2O:1 CH:1.0 - H:1.0 CH2CO:1 - - - - - CH + HCCO [=] CO + C2H2 - - - 5.000000E+10 - 0 - 0.000000 - - - CH:1.0 HCCO:1 - CO:1.0 C2H2:1 - - - - - CH2 + O2 =] OH + H + CO - - - 5.000000E+09 - 0 - 1500.000000 - - - CH2:1.0 O2:1 - H:1 CO:1 OH:1.0 - - - - - CH2 + H2 [=] H + CH3 - - - 5.000000E+02 - 2 - 7230.000000 - - - H2:1 CH2:1.0 - H:1.0 CH3:1 - - - - - 2 CH2 [=] H2 + C2H2 - - - 1.600000E+12 - 0 - 11944.000000 - - - CH2:2.0 - H2:1.0 C2H2:1 - - - - - CH2 + CH3 [=] H + C2H4 - - - 4.000000E+10 - 0 - 0.000000 - - - CH2:1.0 CH3:1 - H:1.0 C2H4:1 - - - - - CH2 + CH4 [=] 2 CH3 - - - 2.460000E+03 - 2 - 8270.000000 - - - CH2:1.0 CH4:1 - CH3:2.0 - - - - - CH2 + CO (+ M) [=] CH2CO (+ M) - - - 8.100000E+08 - 0.5 - 4510.000000 - - - 2.690000E+27 - -5.1100000000000003 - 7095.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.5907 275 1226 5185 - - CH2:1.0 CO:1 - CH2CO:1.0 - - - - - CH2 + HCCO [=] C2H3 + CO - - - 3.000000E+10 - 0 - 0.000000 - - - CH2:1.0 HCCO:1 - CO:1 C2H3:1.0 - - - - - CH2(S) + N2 [=] CH2 + N2 - - - 1.500000E+10 - 0 - 600.000000 - - - CH2(S):1.0 N2:1 - CH2:1.0 N2:1 - - - - - CH2(S) + AR [=] CH2 + AR - - - 9.000000E+09 - 0 - 600.000000 - - - CH2(S):1.0 AR:1 - CH2:1.0 AR:1 - - - - - CH2(S) + O2 [=] H + OH + CO - - - 2.800000E+10 - 0 - 0.000000 - - - CH2(S):1.0 O2:1 - H:1.0 CO:1 OH:1 - - - - - CH2(S) + O2 [=] CO + H2O - - - 1.200000E+10 - 0 - 0.000000 - - - CH2(S):1.0 O2:1 - H2O:1 CO:1.0 - - - - - CH2(S) + H2 [=] CH3 + H - - - 7.000000E+10 - 0 - 0.000000 - - - H2:1 CH2(S):1.0 - H:1 CH3:1.0 - - - - - CH2(S) + H2O (+ M) [=] CH3OH (+ M) - - - 4.820000E+14 - -1.1599999999999999 - 1145.000000 - - - 1.880000E+32 - -6.3600000000000003 - 5040.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.6027 208 3922 10180 - - CH2(S):1.0 H2O:1 - CH3OH:1.0 - - - - - CH2(S) + H2O [=] CH2 + H2O - - - 3.000000E+10 - 0 - 0.000000 - - - CH2(S):1.0 H2O:1 - CH2:1.0 H2O:1 - - - - - CH2(S) + CH3 [=] H + C2H4 - - - 1.200000E+10 - 0 - -570.000000 - - - CH2(S):1.0 CH3:1 - H:1.0 C2H4:1 - - - - - CH2(S) + CH4 [=] 2 CH3 - - - 1.600000E+10 - 0 - -570.000000 - - - CH2(S):1.0 CH4:1 - CH3:2.0 - - - - - CH2(S) + CO [=] CH2 + CO - - - 9.000000E+09 - 0 - 0.000000 - - - CH2(S):1.0 CO:1 - CH2:1.0 CO:1 - - - - - CH2(S) + CO2 [=] CH2 + CO2 - - - 7.000000E+09 - 0 - 0.000000 - - - CH2(S):1.0 CO2:1 - CH2:1.0 CO2:1 - - - - - CH2(S) + CO2 [=] CO + CH2O - - - 1.400000E+10 - 0 - 0.000000 - - - CH2(S):1.0 CO2:1 - CH2O:1 CO:1.0 - - - - - CH2(S) + C2H6 [=] CH3 + C2H5 - - - 4.000000E+10 - 0 - -550.000000 - - - CH2(S):1.0 C2H6:1 - C2H5:1 CH3:1.0 - - - - - CH3 + O2 [=] O + CH3O - - - 3.560000E+10 - 0 - 30480.000000 - - - CH3:1.0 O2:1 - CH3O:1 O:1.0 - - - - - CH3 + O2 [=] OH + CH2O - - - 2.310000E+09 - 0 - 20315.000000 - - - CH3:1.0 O2:1 - CH2O:1 OH:1.0 - - - - - CH3 + H2O2 [=] HO2 + CH4 - - - 2.450000E+01 - 2.4700000000000002 - 5180.000000 - - - CH3:1.0 H2O2:1 - CH4:1 HO2:1.0 - - - - - 2 CH3 (+ M) [=] C2H6 (+ M) - - - 6.770000E+13 - -1.1799999999999999 - 654.000000 - - - 3.400000E+35 - -7.0300000000000002 - 2762.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.619 73.2 1180 9999 - - CH3:2.0 - C2H6:1.0 - - - - - 2 CH3 [=] H + C2H5 - - - 6.840000E+09 - 0.10000000000000001 - 10600.000000 - - - CH3:2.0 - H:1.0 C2H5:1 - - - - - CH3 + HCO [=] CH4 + CO - - - 2.648000E+10 - 0 - 0.000000 - - - CH3:1.0 HCO:1 - CO:1 CH4:1.0 - - - - - CH3 + CH2O [=] HCO + CH4 - - - 3.320000E+00 - 2.8100000000000001 - 5860.000000 - - - CH2O:1 CH3:1.0 - CH4:1 HCO:1.0 - - - - - CH3 + CH3OH [=] CH2OH + CH4 - - - 3.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1.0 - CH2OH:1.0 CH4:1 - - - - - CH3 + CH3OH [=] CH3O + CH4 - - - 1.000000E+04 - 1.5 - 9940.000000 - - - CH3OH:1 CH3:1.0 - CH3O:1.0 CH4:1 - - - - - CH3 + C2H4 [=] C2H3 + CH4 - - - 2.270000E+02 - 2 - 9200.000000 - - - CH3:1.0 C2H4:1 - CH4:1 C2H3:1.0 - - - - - CH3 + C2H6 [=] C2H5 + CH4 - - - 6.140000E+03 - 1.74 - 10450.000000 - - - C2H6:1 CH3:1.0 - C2H5:1.0 CH4:1 - - - - - HCO + H2O [=] H + CO + H2O - - - 1.500000E+15 - -1 - 17000.000000 - - - H2O:1 HCO:1.0 - H:1.0 H2O:1 CO:1 - - - - - HCO + M [=] H + CO + M - - - 1.870000E+14 - -1 - 17000.000000 - - C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:0 - - HCO:1.0 - H:1.0 CO:1 - - - - - HCO + O2 [=] HO2 + CO - - - 1.345000E+10 - 0 - 400.000000 - - - HCO:1.0 O2:1 - CO:1 HO2:1.0 - - - - - CH2OH + O2 [=] HO2 + CH2O - - - 1.800000E+10 - 0 - 900.000000 - - - CH2OH:1.0 O2:1 - CH2O:1 HO2:1.0 - - - - - CH3O + O2 [=] HO2 + CH2O - - - 4.280000E-16 - 7.5999999999999996 - -3530.000000 - - - CH3O:1.0 O2:1 - CH2O:1 HO2:1.0 - - - - - C2H + O2 [=] HCO + CO - - - 1.000000E+10 - 0 - -755.000000 - - - C2H:1.0 O2:1 - CO:1 HCO:1.0 - - - - - C2H + H2 [=] H + C2H2 - - - 5.680000E+07 - 0.90000000000000002 - 1993.000000 - - - H2:1 C2H:1.0 - H:1.0 C2H2:1 - - - - - C2H3 + O2 [=] HCO + CH2O - - - 4.580000E+13 - -1.3899999999999999 - 1015.000000 - - - C2H3:1.0 O2:1 - CH2O:1 HCO:1.0 - - - - - C2H4 (+ M) [=] H2 + C2H2 (+ M) - - - 8.000000E+12 - 0.44 - 86770.000000 - - - 1.580000E+48 - -9.3000000000000007 - 97800.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.7345 180 1035 5417 - - C2H4:1.0 - H2:1.0 C2H2:1 - - - - - C2H5 + O2 [=] HO2 + C2H4 - - - 8.400000E+08 - 0 - 3875.000000 - - - C2H5:1.0 O2:1 - C2H4:1 HO2:1.0 - - - - - HCCO + O2 [=] OH + 2 CO - - - 3.200000E+09 - 0 - 854.000000 - - - HCCO:1.0 O2:1 - CO:2.0 OH:1.0 - - - - - 2 HCCO [=] 2 CO + C2H2 - - - 1.000000E+10 - 0 - 0.000000 - - - HCCO:2.0 - CO:2.0 C2H2:1 - - - - - N + NO [=] N2 + O - - - 2.700000E+10 - 0 - 355.000000 - - - NO:1 N:1.0 - N2:1.0 O:1 - - - - - N + O2 [=] NO + O - - - 9.000000E+06 - 1 - 6500.000000 - - - O2:1 N:1.0 - O:1 NO:1.0 - - - - - N + OH [=] NO + H - - - 3.360000E+10 - 0 - 385.000000 - - - OH:1 N:1.0 - H:1 NO:1.0 - - - - - N2O + O [=] N2 + O2 - - - 1.400000E+09 - 0 - 10810.000000 - - - N2O:1.0 O:1 - N2:1.0 O2:1 - - - - - N2O + O [=] 2 NO - - - 2.900000E+10 - 0 - 23150.000000 - - - N2O:1.0 O:1 - NO:2.0 - - - - - N2O + H [=] N2 + OH - - - 3.870000E+11 - 0 - 18880.000000 - - - H:1 N2O:1.0 - N2:1.0 OH:1 - - - - - N2O + OH [=] N2 + HO2 - - - 2.000000E+09 - 0 - 21060.000000 - - - N2O:1.0 OH:1 - N2:1.0 HO2:1 - - - - - N2O (+ M) [=] N2 + O (+ M) - - - 7.910000E+10 - 0 - 56020.000000 - - - 6.370000E+11 - 0 - 56640.000000 - - AR:0.625 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - N2O:1.0 - N2:1.0 O:1 - - - - - HO2 + NO [=] NO2 + OH - - - 2.110000E+09 - 0 - -480.000000 - - - HO2:1.0 NO:1 - NO2:1.0 OH:1 - - - - - NO + O + M [=] NO2 + M - - - 1.060000E+14 - -1.4099999999999999 - 0.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - O:1 NO:1.0 - NO2:1.0 - - - - - NO2 + O [=] NO + O2 - - - 3.900000E+09 - 0 - -240.000000 - - - O:1 NO2:1.0 - O2:1 NO:1.0 - - - - - NO2 + H [=] NO + OH - - - 1.320000E+11 - 0 - 360.000000 - - - H:1 NO2:1.0 - OH:1 NO:1.0 - - - - - NH + O [=] NO + H - - - 4.000000E+10 - 0 - 0.000000 - - - NH:1.0 O:1 - H:1 NO:1.0 - - - - - NH + H [=] N + H2 - - - 3.200000E+10 - 0 - 330.000000 - - - NH:1.0 H:1 - H2:1 N:1.0 - - - - - NH + OH [=] HNO + H - - - 2.000000E+10 - 0 - 0.000000 - - - NH:1.0 OH:1 - H:1 HNO:1.0 - - - - - NH + OH [=] N + H2O - - - 2.000000E+06 - 1.2 - 0.000000 - - - NH:1.0 OH:1 - H2O:1 N:1.0 - - - - - NH + O2 [=] HNO + O - - - 4.610000E+02 - 2 - 6500.000000 - - - NH:1.0 O2:1 - O:1 HNO:1.0 - - - - - NH + O2 [=] NO + OH - - - 1.280000E+03 - 1.5 - 100.000000 - - - NH:1.0 O2:1 - OH:1 NO:1.0 - - - - - NH + N [=] N2 + H - - - 1.500000E+10 - 0 - 0.000000 - - - NH:1.0 N:1 - H:1 N2:1.0 - - - - - NH + H2O [=] HNO + H2 - - - 2.000000E+10 - 0 - 13850.000000 - - - NH:1.0 H2O:1 - H2:1 HNO:1.0 - - - - - NH + NO [=] N2 + OH - - - 2.160000E+10 - -0.23000000000000001 - 0.000000 - - - NH:1.0 NO:1 - N2:1.0 OH:1 - - - - - NH + NO [=] N2O + H - - - 3.650000E+11 - -0.45000000000000001 - 0.000000 - - - NH:1.0 NO:1 - H:1 N2O:1.0 - - - - - NH2 + O [=] OH + NH - - - 3.000000E+09 - 0 - 0.000000 - - - O:1 NH2:1.0 - NH:1 OH:1.0 - - - - - NH2 + O [=] H + HNO - - - 3.900000E+10 - 0 - 0.000000 - - - O:1 NH2:1.0 - H:1.0 HNO:1 - - - - - NH2 + H [=] NH + H2 - - - 4.000000E+10 - 0 - 3650.000000 - - - H:1 NH2:1.0 - NH:1.0 H2:1 - - - - - NH2 + OH [=] NH + H2O - - - 9.000000E+04 - 1.5 - -460.000000 - - - OH:1 NH2:1.0 - NH:1.0 H2O:1 - - - - - NNH [=] N2 + H - - - 3.300000E+08 - 0 - 0.000000 - - - NNH:1.0 - H:1 N2:1.0 - - - - - NNH + M [=] N2 + H + M - - - 1.300000E+11 - -0.11 - 4980.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NNH:1.0 - H:1 N2:1.0 - - - - - NNH + O2 [=] HO2 + N2 - - - 5.000000E+09 - 0 - 0.000000 - - - O2:1 NNH:1.0 - N2:1 HO2:1.0 - - - - - NNH + O [=] OH + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 NNH:1.0 - N2:1 OH:1.0 - - - - - NNH + O [=] NH + NO - - - 7.000000E+10 - 0 - 0.000000 - - - O:1 NNH:1.0 - NH:1.0 NO:1 - - - - - NNH + H [=] H2 + N2 - - - 5.000000E+10 - 0 - 0.000000 - - - H:1 NNH:1.0 - H2:1.0 N2:1 - - - - - NNH + OH [=] H2O + N2 - - - 2.000000E+10 - 0 - 0.000000 - - - OH:1 NNH:1.0 - H2O:1.0 N2:1 - - - - - NNH + CH3 [=] CH4 + N2 - - - 2.500000E+10 - 0 - 0.000000 - - - CH3:1 NNH:1.0 - N2:1 CH4:1.0 - - - - - H + NO + M [=] HNO + M - - - 4.480000E+13 - -1.3200000000000001 - 740.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - H:1.0 NO:1 - HNO:1.0 - - - - - HNO + O [=] NO + OH - - - 2.500000E+10 - 0 - 0.000000 - - - O:1 HNO:1.0 - OH:1 NO:1.0 - - - - - HNO + H [=] H2 + NO - - - 9.000000E+08 - 0.71999999999999997 - 660.000000 - - - H:1 HNO:1.0 - H2:1.0 NO:1 - - - - - HNO + OH [=] NO + H2O - - - 1.300000E+04 - 1.8999999999999999 - -950.000000 - - - HNO:1.0 OH:1 - H2O:1 NO:1.0 - - - - - HNO + O2 [=] HO2 + NO - - - 1.000000E+10 - 0 - 13000.000000 - - - O2:1 HNO:1.0 - HO2:1.0 NO:1 - - - - - CN + O [=] CO + N - - - 7.700000E+10 - 0 - 0.000000 - - - CN:1.0 O:1 - CO:1.0 N:1 - - - - - CN + OH [=] NCO + H - - - 4.000000E+10 - 0 - 0.000000 - - - CN:1.0 OH:1 - H:1 NCO:1.0 - - - - - CN + H2O [=] HCN + OH - - - 8.000000E+09 - 0 - 7460.000000 - - - H2O:1 CN:1.0 - HCN:1.0 OH:1 - - - - - CN + O2 [=] NCO + O - - - 6.140000E+09 - 0 - -440.000000 - - - CN:1.0 O2:1 - O:1 NCO:1.0 - - - - - CN + H2 [=] HCN + H - - - 2.950000E+02 - 2.4500000000000002 - 2240.000000 - - - H2:1 CN:1.0 - H:1 HCN:1.0 - - - - - NCO + O [=] NO + CO - - - 2.350000E+10 - 0 - 0.000000 - - - O:1 NCO:1.0 - CO:1 NO:1.0 - - - - - NCO + H [=] NH + CO - - - 5.400000E+10 - 0 - 0.000000 - - - H:1 NCO:1.0 - NH:1.0 CO:1 - - - - - NCO + OH [=] NO + H + CO - - - 2.500000E+09 - 0 - 0.000000 - - - OH:1 NCO:1.0 - H:1 CO:1 NO:1.0 - - - - - NCO + N [=] N2 + CO - - - 2.000000E+10 - 0 - 0.000000 - - - N:1 NCO:1.0 - N2:1.0 CO:1 - - - - - NCO + O2 [=] NO + CO2 - - - 2.000000E+09 - 0 - 20000.000000 - - - O2:1 NCO:1.0 - CO2:1 NO:1.0 - - - - - NCO + M [=] N + CO + M - - - 3.100000E+11 - 0 - 54050.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - NCO:1.0 - CO:1 N:1.0 - - - - - NCO + NO [=] N2O + CO - - - 1.900000E+14 - -1.52 - 740.000000 - - - NO:1 NCO:1.0 - CO:1 N2O:1.0 - - - - - NCO + NO [=] N2 + CO2 - - - 3.800000E+15 - -2 - 800.000000 - - - NO:1 NCO:1.0 - N2:1.0 CO2:1 - - - - - HCN + M [=] H + CN + M - - - 1.040000E+26 - -3.2999999999999998 - 126600.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HCN:1.0 - H:1.0 CN:1 - - - - - HCN + O [=] NCO + H - - - 2.030000E+01 - 2.6400000000000001 - 4980.000000 - - - HCN:1.0 O:1 - H:1 NCO:1.0 - - - - - HCN + O [=] NH + CO - - - 5.070000E+00 - 2.6400000000000001 - 4980.000000 - - - HCN:1.0 O:1 - NH:1.0 CO:1 - - - - - HCN + O [=] CN + OH - - - 3.910000E+06 - 1.5800000000000001 - 26600.000000 - - - HCN:1.0 O:1 - CN:1.0 OH:1 - - - - - HCN + OH [=] HOCN + H - - - 1.100000E+03 - 2.0299999999999998 - 13370.000000 - - - HCN:1.0 OH:1 - HOCN:1.0 H:1 - - - - - HCN + OH [=] HNCO + H - - - 4.400000E+00 - 2.2599999999999998 - 6400.000000 - - - HCN:1.0 OH:1 - HNCO:1.0 H:1 - - - - - HCN + OH [=] NH2 + CO - - - 1.600000E-01 - 2.5600000000000001 - 9000.000000 - - - HCN:1.0 OH:1 - CO:1 NH2:1.0 - - - - - H + HCN (+ M) [=] H2CN (+ M) - - - 3.300000E+10 - 0 - 0.000000 - - - 1.400000E+20 - -3.3999999999999999 - 1900.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - - H:1.0 HCN:1 - H2CN:1.0 - - - - - H2CN + N [=] N2 + CH2 - - - 6.000000E+10 - 0 - 400.000000 - - - H2CN:1.0 N:1 - N2:1.0 CH2:1 - - - - - C + N2 [=] CN + N - - - 6.300000E+10 - 0 - 46020.000000 - - - C:1.0 N2:1 - CN:1.0 N:1 - - - - - CH + N2 [=] HCN + N - - - 3.120000E+06 - 0.88 - 20130.000000 - - - N2:1 CH:1.0 - HCN:1.0 N:1 - - - - - CH + N2 (+ M) [=] HCNN (+ M) - - - 3.100000E+09 - 0.14999999999999999 - 0.000000 - - - 1.300000E+19 - -3.1600000000000001 - 740.000000 - - AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.667 235 2117 4536 - - N2:1 CH:1.0 - HCNN:1.0 - - - - - CH2 + N2 [=] HCN + NH - - - 1.000000E+10 - 0 - 74000.000000 - - - CH2:1.0 N2:1 - NH:1 HCN:1.0 - - - - - CH2(S) + N2 [=] NH + HCN - - - 1.000000E+08 - 0 - 65000.000000 - - - CH2(S):1.0 N2:1 - NH:1.0 HCN:1 - - - - - C + NO [=] CN + O - - - 1.900000E+10 - 0 - 0.000000 - - - C:1.0 NO:1 - CN:1.0 O:1 - - - - - C + NO [=] CO + N - - - 2.900000E+10 - 0 - 0.000000 - - - C:1.0 NO:1 - CO:1.0 N:1 - - - - - CH + NO [=] HCN + O - - - 4.100000E+10 - 0 - 0.000000 - - - CH:1.0 NO:1 - HCN:1.0 O:1 - - - - - CH + NO [=] H + NCO - - - 1.620000E+10 - 0 - 0.000000 - - - CH:1.0 NO:1 - H:1.0 NCO:1 - - - - - CH + NO [=] N + HCO - - - 2.460000E+10 - 0 - 0.000000 - - - CH:1.0 NO:1 - HCO:1 N:1.0 - - - - - CH2 + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2:1.0 NO:1 - HNCO:1 H:1.0 - - - - - CH2 + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2:1.0 NO:1 - HCN:1 OH:1.0 - - - - - CH2 + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2:1.0 NO:1 - H:1.0 HCNO:1 - - - - - CH2(S) + NO [=] H + HNCO - - - 3.100000E+14 - -1.3799999999999999 - 1270.000000 - - - CH2(S):1.0 NO:1 - HNCO:1 H:1.0 - - - - - CH2(S) + NO [=] OH + HCN - - - 2.900000E+11 - -0.68999999999999995 - 760.000000 - - - CH2(S):1.0 NO:1 - HCN:1 OH:1.0 - - - - - CH2(S) + NO [=] H + HCNO - - - 3.800000E+10 - -0.35999999999999999 - 580.000000 - - - CH2(S):1.0 NO:1 - H:1.0 HCNO:1 - - - - - CH3 + NO [=] HCN + H2O - - - 9.600000E+10 - 0 - 28800.000000 - - - CH3:1.0 NO:1 - H2O:1 HCN:1.0 - - - - - CH3 + NO [=] H2CN + OH - - - 1.000000E+09 - 0 - 21750.000000 - - - CH3:1.0 NO:1 - H2CN:1.0 OH:1 - - - - - HCNN + O [=] CO + H + N2 - - - 2.200000E+10 - 0 - 0.000000 - - - O:1 HCNN:1.0 - H:1 N2:1 CO:1.0 - - - - - HCNN + O [=] HCN + NO - - - 2.000000E+09 - 0 - 0.000000 - - - O:1 HCNN:1.0 - HCN:1.0 NO:1 - - - - - HCNN + O2 [=] O + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - O2:1 HCNN:1.0 - N2:1 HCO:1 O:1.0 - - - - - HCNN + OH [=] H + HCO + N2 - - - 1.200000E+10 - 0 - 0.000000 - - - OH:1 HCNN:1.0 - H:1.0 N2:1 HCO:1 - - - - - HCNN + H [=] CH2 + N2 - - - 1.000000E+11 - 0 - 0.000000 - - - H:1 HCNN:1.0 - CH2:1.0 N2:1 - - - - - HNCO + O [=] NH + CO2 - - - 9.800000E+04 - 1.4099999999999999 - 8500.000000 - - - HNCO:1.0 O:1 - NH:1.0 CO2:1 - - - - - HNCO + O [=] HNO + CO - - - 1.500000E+05 - 1.5700000000000001 - 44000.000000 - - - HNCO:1.0 O:1 - CO:1 HNO:1.0 - - - - - HNCO + O [=] NCO + OH - - - 2.200000E+03 - 2.1099999999999999 - 11400.000000 - - - HNCO:1.0 O:1 - OH:1 NCO:1.0 - - - - - HNCO + H [=] NH2 + CO - - - 2.250000E+04 - 1.7 - 3800.000000 - - - HNCO:1.0 H:1 - CO:1 NH2:1.0 - - - - - HNCO + H [=] H2 + NCO - - - 1.050000E+02 - 2.5 - 13300.000000 - - - HNCO:1.0 H:1 - H2:1.0 NCO:1 - - - - - HNCO + OH [=] NCO + H2O - - - 3.300000E+04 - 1.5 - 3600.000000 - - - HNCO:1.0 OH:1 - H2O:1 NCO:1.0 - - - - - HNCO + OH [=] NH2 + CO2 - - - 3.300000E+03 - 1.5 - 3600.000000 - - - HNCO:1.0 OH:1 - CO2:1 NH2:1.0 - - - - - HNCO + M [=] NH + CO + M - - - 1.180000E+13 - 0 - 84720.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - - HNCO:1.0 - NH:1.0 CO:1 - - - - - HCNO + H [=] H + HNCO - - - 2.100000E+12 - -0.68999999999999995 - 2850.000000 - - - H:1 HCNO:1.0 - HNCO:1 H:1.0 - - - - - HCNO + H [=] OH + HCN - - - 2.700000E+08 - 0.17999999999999999 - 2120.000000 - - - H:1 HCNO:1.0 - HCN:1 OH:1.0 - - - - - HCNO + H [=] NH2 + CO - - - 1.700000E+11 - -0.75 - 2890.000000 - - - H:1 HCNO:1.0 - CO:1 NH2:1.0 - - - - - HOCN + H [=] H + HNCO - - - 2.000000E+04 - 2 - 2000.000000 - - - HOCN:1.0 H:1 - HNCO:1 H:1.0 - - - - - HCCO + NO [=] HCNO + CO - - - 9.000000E+09 - 0 - 0.000000 - - - HCCO:1.0 NO:1 - CO:1 HCNO:1.0 - - - - - CH3 + N [=] H2CN + H - - - 6.100000E+11 - -0.31 - 290.000000 - - - CH3:1.0 N:1 - H:1 H2CN:1.0 - - - - - CH3 + N [=] HCN + H2 - - - 3.700000E+09 - 0.14999999999999999 - -90.000000 - - - CH3:1.0 N:1 - H2:1 HCN:1.0 - - - - - NH3 + H [=] NH2 + H2 - - - 5.400000E+02 - 2.3999999999999999 - 9915.000000 - - - H:1 NH3:1.0 - H2:1 NH2:1.0 - - - - - NH3 + OH [=] NH2 + H2O - - - 5.000000E+04 - 1.6000000000000001 - 955.000000 - - - NH3:1.0 OH:1 - H2O:1 NH2:1.0 - - - - - NH3 + O [=] NH2 + OH - - - 9.400000E+03 - 1.9399999999999999 - 6460.000000 - - - O:1 NH3:1.0 - OH:1 NH2:1.0 - - - - - NH + CO2 [=] HNO + CO - - - 1.000000E+10 - 0 - 14350.000000 - - - NH:1.0 CO2:1 - CO:1 HNO:1.0 - - - - - CN + NO2 [=] NCO + NO - - - 6.160000E+12 - -0.752 - 345.000000 - - - CN:1.0 NO2:1 - NO:1 NCO:1.0 - - - - - NCO + NO2 [=] N2O + CO2 - - - 3.250000E+09 - 0 - -705.000000 - - - NO2:1 NCO:1.0 - CO2:1 N2O:1.0 - - - - - N + CO2 [=] NO + CO - - - 3.000000E+09 - 0 - 11300.000000 - - - CO2:1 N:1.0 - CO:1 NO:1.0 - - - - - O + CH3 =] H + H2 + CO - - - 3.370000E+10 - 0 - 0.000000 - - - CH3:1 O:1.0 - H2:1 H:1.0 CO:1 - - - - - O + C2H4 [=] H + CH2CHO - - - 6.700000E+03 - 1.8300000000000001 - 220.000000 - - - C2H4:1 O:1.0 - H:1.0 CH2CHO:1 - - - - - O + C2H5 [=] H + CH3CHO - - - 1.096000E+11 - 0 - 0.000000 - - - C2H5:1 O:1.0 - H:1.0 CH3CHO:1 - - - - - OH + HO2 [=] O2 + H2O - - - 5.000000E+12 - 0 - 17330.000000 - - - HO2:1 OH:1.0 - H2O:1 O2:1.0 - - - - - OH + CH3 =] H2 + CH2O - - - 8.000000E+06 - 0.5 - -1755.000000 - - - CH3:1 OH:1.0 - H2:1.0 CH2O:1 - - - - - CH + H2 (+ M) [=] CH3 (+ M) - - - 1.970000E+09 - 0.42999999999999999 - -370.000000 - - - 4.820000E+19 - -2.7999999999999998 - 590.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.578 122 2535 9365 - - H2:1 CH:1.0 - CH3:1.0 - - - - - CH2 + O2 =] 2 H + CO2 - - - 5.800000E+09 - 0 - 1500.000000 - - - CH2:1.0 O2:1 - H:2.0 CO2:1 - - - - - CH2 + O2 [=] O + CH2O - - - 2.400000E+09 - 0 - 1500.000000 - - - CH2:1.0 O2:1 - CH2O:1 O:1.0 - - - - - CH2 + CH2 =] 2 H + C2H2 - - - 2.000000E+11 - 0 - 10989.000000 - - - CH2:2.0 - H:2.0 C2H2:1 - - - - - CH2(S) + H2O =] H2 + CH2O - - - 6.820000E+07 - 0.25 - -935.000000 - - - CH2(S):1.0 H2O:1 - H2:1.0 CH2O:1 - - - - - C2H3 + O2 [=] O + CH2CHO - - - 3.030000E+08 - 0.28999999999999998 - 11.000000 - - - C2H3:1.0 O2:1 - CH2CHO:1 O:1.0 - - - - - C2H3 + O2 [=] HO2 + C2H2 - - - 1.337000E+03 - 1.6100000000000001 - -384.000000 - - - C2H3:1.0 O2:1 - HO2:1.0 C2H2:1 - - - - - O + CH3CHO [=] OH + CH2CHO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1.0 - CH2CHO:1 OH:1.0 - - - - - O + CH3CHO =] OH + CH3 + CO - - - 5.840000E+09 - 0 - 1808.000000 - - - CH3CHO:1 O:1.0 - CH3:1 CO:1 OH:1.0 - - - - - O2 + CH3CHO =] HO2 + CH3 + CO - - - 3.010000E+10 - 0 - 39150.000000 - - - CH3CHO:1 O2:1.0 - CO:1 CH3:1 HO2:1.0 - - - - - H + CH3CHO [=] CH2CHO + H2 - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1.0 CH3CHO:1 - H2:1 CH2CHO:1.0 - - - - - H + CH3CHO =] CH3 + H2 + CO - - - 2.050000E+06 - 1.1599999999999999 - 2405.000000 - - - H:1.0 CH3CHO:1 - H2:1 CH3:1.0 CO:1 - - - - - OH + CH3CHO =] CH3 + H2O + CO - - - 2.343000E+07 - 0.72999999999999998 - -1113.000000 - - - CH3CHO:1 OH:1.0 - H2O:1 CH3:1.0 CO:1 - - - - - HO2 + CH3CHO =] CH3 + H2O2 + CO - - - 3.010000E+09 - 0 - 11923.000000 - - - CH3CHO:1 HO2:1.0 - CH3:1.0 CO:1 H2O2:1 - - - - - CH3 + CH3CHO =] CH3 + CH4 + CO - - - 2.720000E+03 - 1.77 - 5920.000000 - - - CH3CHO:1 CH3:1.0 - CO:1 CH3:1.0 CH4:1 - - - - - H + CH2CO (+ M) [=] CH2CHO (+ M) - - - 4.865000E+08 - 0.42199999999999999 - -1755.000000 - - - 1.012000E+36 - -7.6299999999999999 - 3854.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.465 201 1773 5333 - - H:1.0 CH2CO:1 - CH2CHO:1.0 - - - - - O + CH2CHO =] H + CH2 + CO2 - - - 1.500000E+11 - 0 - 0.000000 - - - CH2CHO:1 O:1.0 - H:1.0 CH2:1 CO2:1 - - - - - O2 + CH2CHO =] OH + CO + CH2O - - - 1.810000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1.0 - CH2O:1 CO:1 OH:1.0 - - - - - O2 + CH2CHO =] OH + 2 HCO - - - 2.350000E+07 - 0 - 0.000000 - - - CH2CHO:1 O2:1.0 - HCO:2.0 OH:1.0 - - - - - H + CH2CHO [=] CH3 + HCO - - - 2.200000E+10 - 0 - 0.000000 - - - H:1.0 CH2CHO:1 - CH3:1.0 HCO:1 - - - - - H + CH2CHO [=] CH2CO + H2 - - - 1.100000E+10 - 0 - 0.000000 - - - H:1.0 CH2CHO:1 - H2:1 CH2CO:1.0 - - - - - OH + CH2CHO [=] H2O + CH2CO - - - 1.200000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1.0 - H2O:1.0 CH2CO:1 - - - - - OH + CH2CHO [=] HCO + CH2OH - - - 3.010000E+10 - 0 - 0.000000 - - - CH2CHO:1 OH:1.0 - CH2OH:1 HCO:1.0 - - - - - CH3 + C2H5 (+ M) [=] C3H8 (+ M) - - - 9.430000E+09 - 0 - 0.000000 - - - 2.710000E+68 - -16.82 - 13065.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1527 291 2742 7748 - - C2H5:1 CH3:1.0 - C3H8:1.0 - - - - - O + C3H8 [=] OH + C3H7 - - - 1.930000E+02 - 2.6800000000000002 - 3716.000000 - - - C3H8:1 O:1.0 - C3H7:1 OH:1.0 - - - - - H + C3H8 [=] C3H7 + H2 - - - 1.320000E+03 - 2.54 - 6756.000000 - - - H:1.0 C3H8:1 - H2:1 C3H7:1.0 - - - - - OH + C3H8 [=] C3H7 + H2O - - - 3.160000E+04 - 1.8 - 934.000000 - - - C3H8:1 OH:1.0 - C3H7:1.0 H2O:1 - - - - - C3H7 + H2O2 [=] HO2 + C3H8 - - - 3.780000E-01 - 2.7200000000000002 - 1500.000000 - - - C3H7:1.0 H2O2:1 - HO2:1.0 C3H8:1 - - - - - CH3 + C3H8 [=] C3H7 + CH4 - - - 9.030000E-04 - 3.6499999999999999 - 7154.000000 - - - CH3:1.0 C3H8:1 - C3H7:1.0 CH4:1 - - - - - CH3 + C2H4 (+ M) [=] C3H7 (+ M) - - - 2.550000E+03 - 1.6000000000000001 - 5700.000000 - - - 3.000000E+57 - -14.6 - 18170.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.1894 277 8748 7891 - - CH3:1.0 C2H4:1 - C3H7:1.0 - - - - - O + C3H7 [=] C2H5 + CH2O - - - 9.640000E+10 - 0 - 0.000000 - - - C3H7:1 O:1.0 - CH2O:1 C2H5:1.0 - - - - - H + C3H7 (+ M) [=] C3H8 (+ M) - - - 3.613000E+10 - 0 - 0.000000 - - - 4.420000E+55 - -13.545 - 11357.000000 - - AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 - 0.315 369 3285 6667 - - H:1.0 C3H7:1 - C3H8:1.0 - - - - - H + C3H7 [=] CH3 + C2H5 - - - 4.060000E+03 - 2.1899999999999999 - 890.000000 - - - H:1.0 C3H7:1 - C2H5:1 CH3:1.0 - - - - - OH + C3H7 [=] C2H5 + CH2OH - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 OH:1.0 - CH2OH:1 C2H5:1.0 - - - - - HO2 + C3H7 [=] O2 + C3H8 - - - 2.550000E+07 - 0.255 - -943.000000 - - - C3H7:1 HO2:1.0 - O2:1.0 C3H8:1 - - - - - HO2 + C3H7 =] OH + C2H5 + CH2O - - - 2.410000E+10 - 0 - 0.000000 - - - C3H7:1 HO2:1.0 - CH2O:1 C2H5:1 OH:1.0 - - - - - CH3 + C3H7 [=] 2 C2H5 - - - 1.927000E+10 - -0.32000000000000001 - 0.000000 - - - C3H7:1 CH3:1.0 - C2H5:2.0 - - - diff --git a/test_problems/cxx_ex/Makefile.in b/test_problems/cxx_ex/Makefile.in index 3461c63ce..008d0c035 100644 --- a/test_problems/cxx_ex/Makefile.in +++ b/test_problems/cxx_ex/Makefile.in @@ -1,16 +1,131 @@ +#!/bin/sh + +############################################################################ # -# $Revision: 1.7 $ -# $Author: hkmoffa $ -# $Date: 2006/04/30 18:06:56 $ +# Makefile to compile and link a C++ application to +# Cantera. # -# -all: - (cd ../../examples/cxx ; @MAKE@ ) -test: - ./runtest +############################################################################# + +# the name of the executable program to be created +PROG_NAME = cxx_examples + +# the object files to be linked together. List those generated from Fortran +# and from C/C++ separately +OBJS = examples.o kinetics_example1.o kinetics_example2.o \ + kinetics_example3.o equil_example1.o \ + transport_example1.o transport_example2.o \ + rxnpath_example1.o + +# additional flags to be passed to the linker. If your program +# requires other external libraries, put them here +LINK_OPTIONS = @EXTRA_LINK@ + + +############################################################################# + +# the Fortran compiler +FORT = @F90@ + +PURIFY=@PURIFY@ + +# Fortran compile flags +FORT_FLAGS = @FFLAGS@ + +# Fortran libraries +ifeq (@build_with_f2c@, 0) +FORT_LIBS = @FLIBS@ +else +FORT_LIBS = +endif + +# the C++ compiler +CXX = @CXX@ + +# C++ compile flags +CXX_FLAGS = @CXXFLAGS@ @CXX_INCLUDES@ + +# external libraries +EXT_LIBS = @LOCAL_LIBS@ -lctcxx + +# Ending C++ linking libraries +LCXX_END_LIBS = @LCXX_END_LIBS@ + + +#------ you probably don't have to change anything below this line ----- + + +# the directory where the Cantera libraries are located +CANTERA_LIBDIR=@buildlib@ + +# required Cantera libraries +CANTERA_LIBS = @LOCAL_LIBS@ -lctcxx + +CANTERA_LIB_DEPS = $(CANTERA_LIBDIR)/libkinetics.a \ + $(CANTERA_LIBDIR)/libtransport.a \ + $(CANTERA_LIBDIR)/libthermo.a \ + $(CANTERA_LIBDIR)/libctnumerics.a \ + $(CANTERA_LIBDIR)/libctbase.a \ + $(CANTERA_LIBDIR)/libctmath.a \ + $(CANTERA_LIBDIR)/libtpx.a \ + $(CANTERA_LIBDIR)/libconverters.a + +ifeq (@build_lapack@, 1) +CANTERA_LAPACK_DEPS = $(CANTERA_LIBDIR)/libctblas.a \ + $(CANTERA_LIBDIR)/libctlapack.a +endif + +ifeq (@use_sundials@, 0) +CANTERA_CVODE_DEPS = $(CANTERA_LIBDIR)/libcvode.a +endif + +LIB_DEPS = $(CANTERA_LIB_DEPS) $(CANTERA_LAPACK_DEPS) $(CANTERA_CVODE_DEPS) + +# the directory where Cantera include files may be found. +CANTERA_INC=-I@ctroot@/build/include + +# flags passed to the C++ compiler/linker for the linking step +LCXX_FLAGS = -L$(CANTERA_LIBDIR) @LOCAL_LIB_DIRS@ @CXXFLAGS@ + +# how to compile C++ source files to object files +.@CXX_EXT@.@OBJ_EXT@: + $(PURIFY) $(CXX) -c $< $(CANTERA_INC) $(CXX_FLAGS) + +# how to compile Fortran source files to object files +.@F77_EXT@.@OBJ_EXT@: + $(PURIFY) $(FORT) -c $< $(FORT_FLAGS) + +PROGRAM = ./$(PROG_NAME)$(EXE_EXT) + +all: .depends $(PROGRAM) + +DEPENDS=$(OBJS:.o=.d) + +%.d: + @CXX_DEPENDS@ $(CANTERA_INC) $(CXX_FLAGS) $*.cpp > $*.d + +$(PROGRAM): $(OBJS) $(LIB_DEPS) + $(PURIFY) $(CXX) -o $(PROGRAM) $(OBJS) $(LCXX_FLAGS) $(CANTERA_LIBS) \ + $(LINK_OPTIONS) $(EXT_LIBS) @LIBS@ \ + $(LCXX_END_LIBS) + clean: - (cd ../../examples/cxx ; @MAKE@ clean ) + $(RM) $(OBJS) $(PROGRAM) $(DEPENDS) .depends *~ + (if test -d SunWS_cache ; then \ + $(RM) -rf SunWS_cache ; \ + fi ) depends: + $(MAKE) .depends + +.depends: $(DEPENDS) + cat *.d > .depends + +TAGS: + etags *.h *.cpp + +ifeq ($(wildcard .depends), .depends) +include .depends +endif diff --git a/examples/cxx/equil_example1.cpp b/test_problems/cxx_ex/equil_example1.cpp similarity index 100% rename from examples/cxx/equil_example1.cpp rename to test_problems/cxx_ex/equil_example1.cpp diff --git a/examples/cxx/example_utils.h b/test_problems/cxx_ex/example_utils.h similarity index 100% rename from examples/cxx/example_utils.h rename to test_problems/cxx_ex/example_utils.h diff --git a/examples/cxx/examples.cpp b/test_problems/cxx_ex/examples.cpp similarity index 100% rename from examples/cxx/examples.cpp rename to test_problems/cxx_ex/examples.cpp diff --git a/examples/cxx/kinetics_example1.cpp b/test_problems/cxx_ex/kinetics_example1.cpp similarity index 100% rename from examples/cxx/kinetics_example1.cpp rename to test_problems/cxx_ex/kinetics_example1.cpp diff --git a/examples/cxx/kinetics_example2.cpp b/test_problems/cxx_ex/kinetics_example2.cpp similarity index 100% rename from examples/cxx/kinetics_example2.cpp rename to test_problems/cxx_ex/kinetics_example2.cpp diff --git a/examples/cxx/kinetics_example3.cpp b/test_problems/cxx_ex/kinetics_example3.cpp similarity index 100% rename from examples/cxx/kinetics_example3.cpp rename to test_problems/cxx_ex/kinetics_example3.cpp diff --git a/examples/cxx/rxnpath_example1.cpp b/test_problems/cxx_ex/rxnpath_example1.cpp similarity index 100% rename from examples/cxx/rxnpath_example1.cpp rename to test_problems/cxx_ex/rxnpath_example1.cpp diff --git a/examples/cxx/transport_example1.cpp b/test_problems/cxx_ex/transport_example1.cpp similarity index 100% rename from examples/cxx/transport_example1.cpp rename to test_problems/cxx_ex/transport_example1.cpp diff --git a/examples/cxx/transport_example2.cpp b/test_problems/cxx_ex/transport_example2.cpp similarity index 100% rename from examples/cxx/transport_example2.cpp rename to test_problems/cxx_ex/transport_example2.cpp