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May 22, 2001, 23:57 |
chemical reaction - decompostition
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<P ALIGN="JUSTIFY">We injected only TCE into INLET patch. Because our object is the decompostion of TCE. <P ALIGN="JUSTIFY">At results, TCE is decomposed into being right. Maybe?But other species(decomposed species) is zero(mass fraction or mole fraction) <P ALIGN="JUSTIFY">*.fc file & results picture are below. Is that any mistake? </FONT><FONT FACE="굴림" LANG="KO" SIZE=1><P ALIGN="JUSTIFY"> </FONT><FONT SIZE=1><P ALIGN="JUSTIFY">>>CFX4 <P ALIGN="JUSTIFY"> >>OPTIONS <P ALIGN="JUSTIFY"> TWO DIMENSIONS <P ALIGN="JUSTIFY"> BODY FITTED GRID <P ALIGN="JUSTIFY"> LAMINAR FLOW <P ALIGN="JUSTIFY"> COMPRESSIBLE FLOW <P ALIGN="JUSTIFY"> HEAT TRANSFER <P ALIGN="JUSTIFY"> CHEMICAL SPECIES EQUATIONS 14 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> <P ALIGN="JUSTIFY">>>VARIABLE NAMES <P ALIGN="JUSTIFY"> SPECIES1 'CHCL2CH2CL' <P ALIGN="JUSTIFY"> SPECIES2 'CH2CLCHCL' <P ALIGN="JUSTIFY"> SPECIES3 'CL' <P ALIGN="JUSTIFY"> SPECIES4 'C2H3CL' <P ALIGN="JUSTIFY"> SPECIES5 'CH2CL' <P ALIGN="JUSTIFY"> SPECIES6 'CHCL2' <P ALIGN="JUSTIFY"> SPECIES7 'HCL' <P ALIGN="JUSTIFY"> SPECIES8 'C2H2CL3' <P ALIGN="JUSTIFY"> SPECIES9 'CCL2CH2' <P ALIGN="JUSTIFY"> SPECIES10 'ACHCLCHCL' <P ALIGN="JUSTIFY"> SPECIES11 'BCHCLCHCL' <P ALIGN="JUSTIFY"> SPECIES12 'CHCLCCL' <P ALIGN="JUSTIFY"> SPECIES13 'C2HCL3' <P ALIGN="JUSTIFY"> SPECIES14 'H2' <P ALIGN="JUSTIFY"> /*SPECIES15 'C2CL' <P ALIGN="JUSTIFY"> SPECIES16 'C2HCL' <P ALIGN="JUSTIFY"> SPECIES17 'CHCL2CHCL' <P ALIGN="JUSTIFY"> SPECIES18 'CL2'*/ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>UNITS <P ALIGN="JUSTIFY"> >>CHEMICAL SPECIES <P ALIGN="JUSTIFY"> mass fractions <P ALIGN="JUSTIFY"> /* molar concentrations*/ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY">>>MODEL DATA <P ALIGN="JUSTIFY"> >>TITLE <P ALIGN="JUSTIFY"> PROBLEM TITLE 'TCE pyrolysis' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>CHEMISTRY <P ALIGN="JUSTIFY"> >>CHEMICAL SPECIES PROPERTIES <P ALIGN="JUSTIFY"> >>REFERENCE STATES <P ALIGN="JUSTIFY"> >>ENTHALPY REFERENCE TEMPERATURE <P ALIGN="JUSTIFY"> ALL SPECIES 300.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>HEAT CAPACITY REFERENCE TEMPERATURE <P ALIGN="JUSTIFY"> ALL SPECIES 300.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>DIFFUSIVITIES <P ALIGN="JUSTIFY"> all species 1.0e-6 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>MOLECULAR WEIGHTS <P ALIGN="JUSTIFY"> CHCL2CH2CL 133.35 <P ALIGN="JUSTIFY"> CH2CLCHCL 97.9 <P ALIGN="JUSTIFY"> CL 35.45 <P ALIGN="JUSTIFY"> C2H3CL 62.45 <P ALIGN="JUSTIFY"> CH2CL 49.45 <P ALIGN="JUSTIFY"> CHCL2 83.9 <P ALIGN="JUSTIFY"> HCL 36.45 <P ALIGN="JUSTIFY"> C2H2CL3 132.45 <P ALIGN="JUSTIFY"> CCL2CH2 96.9 <P ALIGN="JUSTIFY"> ACHCLCHCL 96.9 <P ALIGN="JUSTIFY"> BCHCLCHCL 96.9 <P ALIGN="JUSTIFY"> CHCLCCL 95.9 <P ALIGN="JUSTIFY"> C2HCL3 131.35 <P ALIGN="JUSTIFY"> H2 1.0 <P ALIGN="JUSTIFY"> /*C2CL 59.45 <P ALIGN="JUSTIFY"> C2HCL 60.45 <P ALIGN="JUSTIFY"> CHCL2CHCL 133.35 <P ALIGN="JUSTIFY"> CL2 70.9*/ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> /*>>SPECIFIC HEATS*/ <P ALIGN="JUSTIFY"> >>MOLAR HEAT CAPACITIES <P ALIGN="JUSTIFY"> CHCL2CH2CL 0.73270945E+05 <P ALIGN="JUSTIFY"> CH2CLCHCL 0.73270945E+05 <P ALIGN="JUSTIFY"> CL 0.21889563E+05 <P ALIGN="JUSTIFY"> C2H3CL 0.53922934E+05 <P ALIGN="JUSTIFY"> CH2CL 0.38970469E+05 <P ALIGN="JUSTIFY"> CHCL2 0.49104914E+05 <P ALIGN="JUSTIFY"> HCL 0.29101443E+05 <P ALIGN="JUSTIFY"> C2H2CL3 0.87564859E+05 <P ALIGN="JUSTIFY"> CCL2CH2 0.68998227E+05 <P ALIGN="JUSTIFY"> ACHCLCHCL 0.12615065E+06 <P ALIGN="JUSTIFY"> BCHCLCHCL 0.12615065E+06 <P ALIGN="JUSTIFY"> CHCLCCL 0.63885945E+05 <P ALIGN="JUSTIFY"> C2HCL3 0.80612578E+05 <P ALIGN="JUSTIFY"> H2 0.20786000E+05 <P ALIGN="JUSTIFY"> /*C2CL 0.65521715E+05 <P ALIGN="JUSTIFY"> C2HCL 0.54626035E+05 <P ALIGN="JUSTIFY"> CHCL2CHCL 0.87564859E+05 <P ALIGN="JUSTIFY"> CL2 0.33987391E+05*/ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY">/* >>SPECIFIC ENTHALPIES OF FORMATION*/ <P ALIGN="JUSTIFY"> >>MOLAR ENTHALPIES OF FORMATION <P ALIGN="JUSTIFY"> CHCL2CH2CL 0.44382268E+08 <P ALIGN="JUSTIFY"> CH2CLCHCL 0.44382268E+08 <P ALIGN="JUSTIFY"> CL 0.12075835E+09 <P ALIGN="JUSTIFY"> C2H3CL 0.13078552E+08 <P ALIGN="JUSTIFY"> CH2CL 0.11046512E+09 <P ALIGN="JUSTIFY"> CHCL2 0.82553680E+08 <P ALIGN="JUSTIFY"> HCL -0.92655680E+08 <P ALIGN="JUSTIFY"> C2H2CL3 0.31137430E+08 <P ALIGN="JUSTIFY"> CCL2CH2 -0.68926380E+07 <P ALIGN="JUSTIFY"> ACHCLCHCL -0.14465394E+08 <P ALIGN="JUSTIFY"> BCHCLCHCL -0.14465394E+08 <P ALIGN="JUSTIFY"> CHCLCCL 0.22640112E+09 <P ALIGN="JUSTIFY"> C2HCL3 -0.23629526E+08 <P ALIGN="JUSTIFY"> H2 0.21825301E+09 <P ALIGN="JUSTIFY"> /*C2CL 0.12471601E+08 <P ALIGN="JUSTIFY"> C2HCL 0.22688336E+09 <P ALIGN="JUSTIFY"> CHCL2CHCL 0.31137430E+08 <P ALIGN="JUSTIFY"> CL2 0.16953062E+08 */ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> /* >>MOLAR ENTROPIES AT REFERENCE STATE*/ <P ALIGN="JUSTIFY"> /* >>SPECIFIC ENTROPIES AT REFERENCE STATE*/ <P ALIGN="JUSTIFY"> /* CHCL2CH2CL <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> C2H3CL <P ALIGN="JUSTIFY"> CH2CL <P ALIGN="JUSTIFY"> CHCL2 <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> C2H2CL3 <P ALIGN="JUSTIFY"> CCL2CH2 <P ALIGN="JUSTIFY"> ACHCLCHCL <P ALIGN="JUSTIFY"> BCHCLCHCL <P ALIGN="JUSTIFY"> CHCLCCL <P ALIGN="JUSTIFY"> C2HCL3 <P ALIGN="JUSTIFY"> H <P ALIGN="JUSTIFY"> C2CL <P ALIGN="JUSTIFY"> C2HCL <P ALIGN="JUSTIFY"> CHCL2CHCL <P ALIGN="JUSTIFY"> CL2 <P ALIGN="JUSTIFY"> END*/ <P ALIGN="JUSTIFY"> >>CHEMICAL REACTION SCHEME <P ALIGN="JUSTIFY"> >>LIMITS <P ALIGN="JUSTIFY"> MAXIMUM NUMBER OF REACTIONS 30 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION1' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.05E16 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 244.860E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION2' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> C2H3CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.40E12 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION3' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CL <P ALIGN="JUSTIFY"> CHCL2 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 8.97E+10 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 16.8E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION4' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CL <P ALIGN="JUSTIFY"> CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2H3CL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.14E+12 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 10.5E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION5' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2H2CL3 <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.51E+12 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 15.12E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION6' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CCL2CH2 <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 6.31E+13 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 246.54E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION7' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> ACHCLCHCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.0E+14 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 247.8E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION8' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> BCHCLCHCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.0E+14 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 247.8E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION9' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> ACHCLCHCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.00E+8 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 2.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION10' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> ACHCLCHCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.00E+8 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 2.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION11' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> CHCLCCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2HCL3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.0E+13 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION12' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> H2 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2H3CL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.11E+13 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 7.14E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> /*>>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION13' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> C2CL <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2HCL <P ALIGN="JUSTIFY"> CHCL2CHCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.0E+13 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 12.6E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION14' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CL 1.0 <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> HCL 1.0 <P ALIGN="JUSTIFY"> BCHCLCHCL <P ALIGN="JUSTIFY"> CL 1.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.0E+10 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 13.02E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION15' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CL2 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.0E+13 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION16' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CCL2CH2 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2HCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.05E+14 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 332.22E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION17' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCLCCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2HCL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 3.82E+28 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT -5.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 157.252E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION18' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CHCL2CHCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.51E+12 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 15.12E+3 <P ALIGN="JUSTIFY"> END*/ <P ALIGN="JUSTIFY"> <P ALIGN="JUSTIFY"> >>PHYSICAL PROPERTIES <P ALIGN="JUSTIFY"> >>COMPRESSIBILITY PARAMETERS <P ALIGN="JUSTIFY"> FULLY COMPRESSIBLE <P ALIGN="JUSTIFY"> FLUID MOLECULAR WEIGHT 28.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FLUID PARAMETERS <P ALIGN="JUSTIFY"> VISCOSITY 1.846E-5 <P ALIGN="JUSTIFY"> >>HEAT TRANSFER PARAMETERS <P ALIGN="JUSTIFY"> FLUID SPECIFIC HEAT 1040.0 <P ALIGN="JUSTIFY"> THERMAL CONDUCTIVITY 0.026 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> <P ALIGN="JUSTIFY">>>SOLVER DATA <P ALIGN="JUSTIFY"> >>PROGRAM CONTROL <P ALIGN="JUSTIFY"> MAXIMUM NUMBER OF ITERATIONS 500 <P ALIGN="JUSTIFY"> MASS SOURCE TOLERANCE 1.0000E-10 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY">>>MODEL BOUNDARY CONDITIONS <P ALIGN="JUSTIFY"> >>INLET BOUNDARIES <P ALIGN="JUSTIFY"> PATCH NAME 'INLET' <P ALIGN="JUSTIFY"> U VELOCITY 0.003 <P ALIGN="JUSTIFY"> TEMPERATURE 300.0 <P ALIGN="JUSTIFY"> CHCL2CH2CL 0.01 <P ALIGN="JUSTIFY"> CH2CLCHCL 0.0 <P ALIGN="JUSTIFY"> CL 0.0 <P ALIGN="JUSTIFY"> C2H3CL 0.0 <P ALIGN="JUSTIFY"> CH2CL 0.0 <P ALIGN="JUSTIFY"> CHCL2 0.0 <P ALIGN="JUSTIFY"> HCL 0.0 <P ALIGN="JUSTIFY"> C2H2CL3 0.0 <P ALIGN="JUSTIFY"> CCL2CH2 0.0 <P ALIGN="JUSTIFY"> ACHCLCHCL 0.0 <P ALIGN="JUSTIFY"> BCHCLCHCL 0.0 <P ALIGN="JUSTIFY"> CHCLCCL 0.0 <P ALIGN="JUSTIFY"> C2HCL3 0.0 <P ALIGN="JUSTIFY"> H2 0.0 <P ALIGN="JUSTIFY"> /*C2CL 0.0 <P ALIGN="JUSTIFY"> C2HCL 0.0 <P ALIGN="JUSTIFY"> CHCL2CHCL 0.0 <P ALIGN="JUSTIFY"> CL2 0.0*/ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRESSURE BOUNDARIES <P ALIGN="JUSTIFY"> PATCH NAME 'press' <P ALIGN="JUSTIFY"> PRESSURE 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>WALL BOUNDARIES <P ALIGN="JUSTIFY"> PATCH NAME 'WALL1' <P ALIGN="JUSTIFY"> TEMPERATURE 400.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY">>>STOP </FONT><FONT FACE="굴림" LANG="KO" SIZE=2><P ALIGN="JUSTIFY"> </FONT><FONT SIZE=2><P ALIGN="JUSTIFY">see below?/P> <P ALIGN="JUSTIFY">TCE decrease, that may be right so others species should increase. But at below picture, others species is zero. That is too odd. What is the my mistake? <P ALIGN="JUSTIFY"> <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* </FONT><FONT FACE="굴림" LANG="KO" SIZE=2><P ALIGN="JUSTIFY">[img]Image1.gif[/img] </FONT><FONT SIZE=2><P ALIGN="JUSTIFY">3)INFOCHEM <P ALIGN="JUSTIFY">we purchased the INFOCHEM database at AEA KOREA. We received the license key but species list or guide about INFOCHEM. Moreover we can not meet any technical support about that. <P ALIGN="JUSTIFY">How we get species name list , supplied data range and so forth.. ? </FONT></BODY> </HTML> |
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May 23, 2001, 00:07 |
chemical reaction - decompostition
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#2 |
Guest
Posts: n/a
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<P ALIGN="JUSTIFY">We injected only TCE into INLET patch. Because our object is the decompostion of TCE. <P ALIGN="JUSTIFY">At results, TCE is decomposed into being right. Maybe?But other species(decomposed species) is zero(mass fraction or mole fraction) <P ALIGN="JUSTIFY">*.fc file & results picture are below. Is that any mistake? </FONT><FONT FACE="굴림" LANG="KO" SIZE=1><P ALIGN="JUSTIFY"> </FONT><FONT SIZE=1><P ALIGN="JUSTIFY">>>CFX4 <P ALIGN="JUSTIFY"> >>OPTIONS <P ALIGN="JUSTIFY"> TWO DIMENSIONS <P ALIGN="JUSTIFY"> BODY FITTED GRID <P ALIGN="JUSTIFY"> LAMINAR FLOW <P ALIGN="JUSTIFY"> COMPRESSIBLE FLOW <P ALIGN="JUSTIFY"> HEAT TRANSFER <P ALIGN="JUSTIFY"> CHEMICAL SPECIES EQUATIONS 14 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> <P ALIGN="JUSTIFY">>>VARIABLE NAMES <P ALIGN="JUSTIFY"> SPECIES1 'CHCL2CH2CL' <P ALIGN="JUSTIFY"> SPECIES2 'CH2CLCHCL' <P ALIGN="JUSTIFY"> SPECIES3 'CL' <P ALIGN="JUSTIFY"> SPECIES4 'C2H3CL' <P ALIGN="JUSTIFY"> SPECIES5 'CH2CL' <P ALIGN="JUSTIFY"> SPECIES6 'CHCL2' <P ALIGN="JUSTIFY"> SPECIES7 'HCL' <P ALIGN="JUSTIFY"> SPECIES8 'C2H2CL3' <P ALIGN="JUSTIFY"> SPECIES9 'CCL2CH2' <P ALIGN="JUSTIFY"> SPECIES10 'ACHCLCHCL' <P ALIGN="JUSTIFY"> SPECIES11 'BCHCLCHCL' <P ALIGN="JUSTIFY"> SPECIES12 'CHCLCCL' <P ALIGN="JUSTIFY"> SPECIES13 'C2HCL3' <P ALIGN="JUSTIFY"> SPECIES14 'H2' <P ALIGN="JUSTIFY"> /*SPECIES15 'C2CL' <P ALIGN="JUSTIFY"> SPECIES16 'C2HCL' <P ALIGN="JUSTIFY"> SPECIES17 'CHCL2CHCL' <P ALIGN="JUSTIFY"> SPECIES18 'CL2'*/ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>UNITS <P ALIGN="JUSTIFY"> >>CHEMICAL SPECIES <P ALIGN="JUSTIFY"> mass fractions <P ALIGN="JUSTIFY"> /* molar concentrations*/ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY">>>MODEL DATA <P ALIGN="JUSTIFY"> >>TITLE <P ALIGN="JUSTIFY"> PROBLEM TITLE 'TCE pyrolysis' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>CHEMISTRY <P ALIGN="JUSTIFY"> >>CHEMICAL SPECIES PROPERTIES <P ALIGN="JUSTIFY"> >>REFERENCE STATES <P ALIGN="JUSTIFY"> >>ENTHALPY REFERENCE TEMPERATURE <P ALIGN="JUSTIFY"> ALL SPECIES 300.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>HEAT CAPACITY REFERENCE TEMPERATURE <P ALIGN="JUSTIFY"> ALL SPECIES 300.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>DIFFUSIVITIES <P ALIGN="JUSTIFY"> all species 1.0e-6 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>MOLECULAR WEIGHTS <P ALIGN="JUSTIFY"> CHCL2CH2CL 133.35 <P ALIGN="JUSTIFY"> CH2CLCHCL 97.9 <P ALIGN="JUSTIFY"> CL 35.45 <P ALIGN="JUSTIFY"> C2H3CL 62.45 <P ALIGN="JUSTIFY"> CH2CL 49.45 <P ALIGN="JUSTIFY"> CHCL2 83.9 <P ALIGN="JUSTIFY"> HCL 36.45 <P ALIGN="JUSTIFY"> C2H2CL3 132.45 <P ALIGN="JUSTIFY"> CCL2CH2 96.9 <P ALIGN="JUSTIFY"> ACHCLCHCL 96.9 <P ALIGN="JUSTIFY"> BCHCLCHCL 96.9 <P ALIGN="JUSTIFY"> CHCLCCL 95.9 <P ALIGN="JUSTIFY"> C2HCL3 131.35 <P ALIGN="JUSTIFY"> H2 1.0 <P ALIGN="JUSTIFY"> /*C2CL 59.45 <P ALIGN="JUSTIFY"> C2HCL 60.45 <P ALIGN="JUSTIFY"> CHCL2CHCL 133.35 <P ALIGN="JUSTIFY"> CL2 70.9*/ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> /*>>SPECIFIC HEATS*/ <P ALIGN="JUSTIFY"> >>MOLAR HEAT CAPACITIES <P ALIGN="JUSTIFY"> CHCL2CH2CL 0.73270945E+05 <P ALIGN="JUSTIFY"> CH2CLCHCL 0.73270945E+05 <P ALIGN="JUSTIFY"> CL 0.21889563E+05 <P ALIGN="JUSTIFY"> C2H3CL 0.53922934E+05 <P ALIGN="JUSTIFY"> CH2CL 0.38970469E+05 <P ALIGN="JUSTIFY"> CHCL2 0.49104914E+05 <P ALIGN="JUSTIFY"> HCL 0.29101443E+05 <P ALIGN="JUSTIFY"> C2H2CL3 0.87564859E+05 <P ALIGN="JUSTIFY"> CCL2CH2 0.68998227E+05 <P ALIGN="JUSTIFY"> ACHCLCHCL 0.12615065E+06 <P ALIGN="JUSTIFY"> BCHCLCHCL 0.12615065E+06 <P ALIGN="JUSTIFY"> CHCLCCL 0.63885945E+05 <P ALIGN="JUSTIFY"> C2HCL3 0.80612578E+05 <P ALIGN="JUSTIFY"> H2 0.20786000E+05 <P ALIGN="JUSTIFY"> /*C2CL 0.65521715E+05 <P ALIGN="JUSTIFY"> C2HCL 0.54626035E+05 <P ALIGN="JUSTIFY"> CHCL2CHCL 0.87564859E+05 <P ALIGN="JUSTIFY"> CL2 0.33987391E+05*/ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY">/* >>SPECIFIC ENTHALPIES OF FORMATION*/ <P ALIGN="JUSTIFY"> >>MOLAR ENTHALPIES OF FORMATION <P ALIGN="JUSTIFY"> CHCL2CH2CL 0.44382268E+08 <P ALIGN="JUSTIFY"> CH2CLCHCL 0.44382268E+08 <P ALIGN="JUSTIFY"> CL 0.12075835E+09 <P ALIGN="JUSTIFY"> C2H3CL 0.13078552E+08 <P ALIGN="JUSTIFY"> CH2CL 0.11046512E+09 <P ALIGN="JUSTIFY"> CHCL2 0.82553680E+08 <P ALIGN="JUSTIFY"> HCL -0.92655680E+08 <P ALIGN="JUSTIFY"> C2H2CL3 0.31137430E+08 <P ALIGN="JUSTIFY"> CCL2CH2 -0.68926380E+07 <P ALIGN="JUSTIFY"> ACHCLCHCL -0.14465394E+08 <P ALIGN="JUSTIFY"> BCHCLCHCL -0.14465394E+08 <P ALIGN="JUSTIFY"> CHCLCCL 0.22640112E+09 <P ALIGN="JUSTIFY"> C2HCL3 -0.23629526E+08 <P ALIGN="JUSTIFY"> H2 0.21825301E+09 <P ALIGN="JUSTIFY"> /*C2CL 0.12471601E+08 <P ALIGN="JUSTIFY"> C2HCL 0.22688336E+09 <P ALIGN="JUSTIFY"> CHCL2CHCL 0.31137430E+08 <P ALIGN="JUSTIFY"> CL2 0.16953062E+08 */ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> /* >>MOLAR ENTROPIES AT REFERENCE STATE*/ <P ALIGN="JUSTIFY"> /* >>SPECIFIC ENTROPIES AT REFERENCE STATE*/ <P ALIGN="JUSTIFY"> /* CHCL2CH2CL <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> C2H3CL <P ALIGN="JUSTIFY"> CH2CL <P ALIGN="JUSTIFY"> CHCL2 <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> C2H2CL3 <P ALIGN="JUSTIFY"> CCL2CH2 <P ALIGN="JUSTIFY"> ACHCLCHCL <P ALIGN="JUSTIFY"> BCHCLCHCL <P ALIGN="JUSTIFY"> CHCLCCL <P ALIGN="JUSTIFY"> C2HCL3 <P ALIGN="JUSTIFY"> H <P ALIGN="JUSTIFY"> C2CL <P ALIGN="JUSTIFY"> C2HCL <P ALIGN="JUSTIFY"> CHCL2CHCL <P ALIGN="JUSTIFY"> CL2 <P ALIGN="JUSTIFY"> END*/ <P ALIGN="JUSTIFY"> >>CHEMICAL REACTION SCHEME <P ALIGN="JUSTIFY"> >>LIMITS <P ALIGN="JUSTIFY"> MAXIMUM NUMBER OF REACTIONS 30 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION1' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.05E16 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 244.860E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION2' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> C2H3CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.40E12 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION3' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CL <P ALIGN="JUSTIFY"> CHCL2 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 8.97E+10 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 16.8E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION4' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CL <P ALIGN="JUSTIFY"> CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2H3CL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.14E+12 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 10.5E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION5' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2H2CL3 <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.51E+12 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 15.12E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION6' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CCL2CH2 <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 6.31E+13 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 246.54E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION7' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> ACHCLCHCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.0E+14 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 247.8E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION8' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> BCHCLCHCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.0E+14 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 247.8E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION9' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> ACHCLCHCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.00E+8 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 2.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION10' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> ACHCLCHCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.00E+8 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 2.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION11' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> CHCLCCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2HCL3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.0E+13 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION12' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> H2 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2H3CL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.11E+13 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 7.14E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> /*>>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION13' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> C2CL <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2HCL <P ALIGN="JUSTIFY"> CHCL2CHCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.0E+13 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 12.6E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION14' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CL 1.0 <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> HCL 1.0 <P ALIGN="JUSTIFY"> BCHCLCHCL <P ALIGN="JUSTIFY"> CL 1.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.0E+10 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 13.02E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION15' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CH2CLCHCL <P ALIGN="JUSTIFY"> CL2 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.0E+13 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION16' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CCL2CH2 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2HCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 1.05E+14 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 332.22E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION17' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCLCCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> C2HCL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 3.82E+28 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT -5.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 157.252E+3 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTION <P ALIGN="JUSTIFY"> >>REACTION NAME <P ALIGN="JUSTIFY"> NAME 'REACTION18' <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>REACTANTS <P ALIGN="JUSTIFY"> CHCL2CH2CL <P ALIGN="JUSTIFY"> CL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRODUCTS <P ALIGN="JUSTIFY"> CHCL2CHCL <P ALIGN="JUSTIFY"> HCL <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FORWARD RATE <P ALIGN="JUSTIFY"> PREEXPONENTIAL FACTOR 2.51E+12 <P ALIGN="JUSTIFY"> TEMPERATURE EXPONENT 0.0 <P ALIGN="JUSTIFY"> ACTIVATION ENERGY 15.12E+3 <P ALIGN="JUSTIFY"> END*/ <P ALIGN="JUSTIFY"> <P ALIGN="JUSTIFY"> >>PHYSICAL PROPERTIES <P ALIGN="JUSTIFY"> >>COMPRESSIBILITY PARAMETERS <P ALIGN="JUSTIFY"> FULLY COMPRESSIBLE <P ALIGN="JUSTIFY"> FLUID MOLECULAR WEIGHT 28.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>FLUID PARAMETERS <P ALIGN="JUSTIFY"> VISCOSITY 1.846E-5 <P ALIGN="JUSTIFY"> >>HEAT TRANSFER PARAMETERS <P ALIGN="JUSTIFY"> FLUID SPECIFIC HEAT 1040.0 <P ALIGN="JUSTIFY"> THERMAL CONDUCTIVITY 0.026 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> <P ALIGN="JUSTIFY">>>SOLVER DATA <P ALIGN="JUSTIFY"> >>PROGRAM CONTROL <P ALIGN="JUSTIFY"> MAXIMUM NUMBER OF ITERATIONS 500 <P ALIGN="JUSTIFY"> MASS SOURCE TOLERANCE 1.0000E-10 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY">>>MODEL BOUNDARY CONDITIONS <P ALIGN="JUSTIFY"> >>INLET BOUNDARIES <P ALIGN="JUSTIFY"> PATCH NAME 'INLET' <P ALIGN="JUSTIFY"> U VELOCITY 0.003 <P ALIGN="JUSTIFY"> TEMPERATURE 300.0 <P ALIGN="JUSTIFY"> CHCL2CH2CL 0.01 <P ALIGN="JUSTIFY"> CH2CLCHCL 0.0 <P ALIGN="JUSTIFY"> CL 0.0 <P ALIGN="JUSTIFY"> C2H3CL 0.0 <P ALIGN="JUSTIFY"> CH2CL 0.0 <P ALIGN="JUSTIFY"> CHCL2 0.0 <P ALIGN="JUSTIFY"> HCL 0.0 <P ALIGN="JUSTIFY"> C2H2CL3 0.0 <P ALIGN="JUSTIFY"> CCL2CH2 0.0 <P ALIGN="JUSTIFY"> ACHCLCHCL 0.0 <P ALIGN="JUSTIFY"> BCHCLCHCL 0.0 <P ALIGN="JUSTIFY"> CHCLCCL 0.0 <P ALIGN="JUSTIFY"> C2HCL3 0.0 <P ALIGN="JUSTIFY"> H2 0.0 <P ALIGN="JUSTIFY"> /*C2CL 0.0 <P ALIGN="JUSTIFY"> C2HCL 0.0 <P ALIGN="JUSTIFY"> CHCL2CHCL 0.0 <P ALIGN="JUSTIFY"> CL2 0.0*/ <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>PRESSURE BOUNDARIES <P ALIGN="JUSTIFY"> PATCH NAME 'press' <P ALIGN="JUSTIFY"> PRESSURE 0.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY"> >>WALL BOUNDARIES <P ALIGN="JUSTIFY"> PATCH NAME 'WALL1' <P ALIGN="JUSTIFY"> TEMPERATURE 400.0 <P ALIGN="JUSTIFY"> END <P ALIGN="JUSTIFY">>>STOP </FONT><FONT FACE="굴림" LANG="KO" SIZE=2><P ALIGN="JUSTIFY"> </FONT><FONT SIZE=2><P ALIGN="JUSTIFY">see below?/P> <P ALIGN="JUSTIFY">TCE decrease, that may be right so others species should increase. But at below picture, others species is zero. That is too odd. What is the my mistake? <P ALIGN="JUSTIFY"> <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* <P ALIGN="JUSTIFY">* </FONT><FONT FACE="굴림" LANG="KO" SIZE=2><P ALIGN="JUSTIFY"> </FONT><FONT SIZE=2><P ALIGN="JUSTIFY">3)INFOCHEM <P ALIGN="JUSTIFY">we purchased the INFOCHEM database at AEA KOREA. We received the license key but species list or guide about INFOCHEM. Moreover we can not meet any technical support about that. <P ALIGN="JUSTIFY">How we get species name list , supplied data range and so forth.. ? </FONT></BODY> </HTML> |
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