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Chemkin 4.1.1 Chapter 5: Chemical Mechanism Analysis 0.00 bulk-phase species k (cm**2/mol sec) = 6.0000E+19 exp( - 2.000 kcal/mole / RT) The reverse rate constant can be fit to the following form: k(rev) (cm**2/mol sec) = 5.9991E+19 T**( 2.0901E-05) exp( - 96.02 kcal/mole / RT) ----------------------------------------------------------------------------------------------------------------------------------- FORWARD AND REVERSE SURFACE REACTION RATE CONSTANTS | Bath Gas Dependent | |UnifDimensnl Rate_Const| T | k A_factor Ea | DeltaG DeltaH DeltaS | k_rev A_factor_rev Ea_rev | k_star k_star_rev | (K) (cm**2/mol sec) (kcal/mol) |(kcal/mol)(kcal/mole)(cal/moleK)| (cm**2/mol sec) (kcal/mol)| (mole/cm**2*sec) | --------|-------------------------------|--------------------------------|--------------------------------|-----------------------| | | | | | 298.15 | 2.05E+18 6.00E+19 2.000 | -94.03 -94.03 5.5511E-17| 2.44E-51 6.00E+19 96.03 | 56. 6.64E-68 | 300.00 | 2.10E+18 6.00E+19 2.000 | -94.03 -94.03 0.0000E+00| 6.62E-51 6.00E+19 96.03 | 57. 1.80E-67 | 700.00 | 1.42E+19 6.00E+19 2.000 | -94.03 -94.03 **********| 6.26E-11 6.00E+19 96.03 | 3.88E+02 1.71E-27 | 1100.00 | 2.40E+19 6.00E+19 2.000 | -94.03 -94.03 8.8818E-16| 5.0 6.00E+19 96.03 | 6.55E+02 1.36E-16 | ==================================================================================================================================== Total CPUtime: 1 second or less © 2007 Reaction Design 176 RD0411-C20-000-001
<strong>Tutorials</strong> <strong>Manual</strong> 4.1.1 Index Index A adiabatic flame temperature 17 A-factors 109 aftertreatment 91 aftertreatment, engine exhaust 101 ALD 134 ALD processes 134 alumina 156 alumina, ALD of 156 ammonia 154 approximations, cylindrical channel flow 122 Arrhenius pre-exponential factors 109 atomic layer deposition 134, 156 autoignition for hydrogen/air 24 autoignition, ignition times for propane 27 axisymmetric results visualization 75 B bath gas 162, 163 burner-stablilized laminar premixed flame 32 C C1_Inlet1 panel 34 calculation, equilibrium 17, 116 carrier gas 162, 164 catalytic combustors 91 catalytic converters 91 catalytic oxidation 108 Center for Energy Research 87 Chapmen-Jouguet detonation 56 chemical mechanism analysis 161 chemical vapor deposition 115 chemistry sets 85, 112, 154 alumnia ALD 156 chlorine plasma 158 ethylene/air combustion 87 fluorocarbon plasma 159 GRImech 3.0 86 hydrogen/air 85 methane air 86 methane oxidation on Pt 112 methane/air 86 methane/air reduced mechanism 86 propane/air 87 Pt/Rh three-way catalyst 113 reduced mechanism 86 silicon deposition from silane 155 silicon deposition from trichlorosilane 155 silicon nitride CVD 154 CHEMKIN format 56 reactor models 13 chlorine plasma 158 spacial 145 steady-state 141 chlorosilane CVD 116 closed homogeneous panel 24, 28 coefficients, normalized sensitivity 48 colorbar property panel 76 combustion 79 combustion in complex flows 57 combustion, hydrogen 22 combustion, propane 27 combustion, steady-state gas-phase 22 combustor, gas turbine 57 combustor, homogeneous 96 combustor, two stage catalytic 91 continuations panel 18, 23, 38, 116, 119, 124, 127, 150 CRUPROF subroutine 74 Curl’s model, modified 66 CVD 115 chlorosilane 116 diamond 164 steady-state thermal 118 trichlorosilane 131 CVD reactor 118 RD0411-C01-006-001 177 © 2007 Reaction Design
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Chemkin 4.1.1 Contents Table of Con
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Chemkin 4.1.1 Tables List of Tables
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Tutorials Manual 4.1.1 Figures List
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List of Figures Tutorials Manual 2-
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Chemkin 4.1.1 1 1 Introduction The
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Chemkin 4.1.1 2 2 Combustion in Gas
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Chapter 2: Combustion in Gas-phase
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Chemkin 4.1.1 4 4 Materials Problem
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