Tutorials Manual

Chemkin 4.1.1
Contents
Table of Contents
1 Introduction................................................................................................................................................................13
2 Combustion in Gas-phase Processes.................................................................................................................17
2.1 Equilibrium ....................................................................................................................................................17
2.1.1 Adiabatic Flame Temperature ..................................................................................................17
2.2 Using Equivalence Ratio.............................................................................................................................18
2.2.1 Example: Propane in Air............................................................................................................19
2.2.2 Example: Stoichiometric Products ...........................................................................................21
2.3 Ignition, Flames and Flammability.............................................................................................................22
2.3.1 Steady-state Gas-phase Combustion .....................................................................................22
2.3.2 Autoignition for H 2 /Air ................................................................................................................24
2.3.3 Ignition-delay Times for Propane Autoignition.......................................................................27
2.3.4 Burner-stabilized Flame.............................................................................................................32
2.3.5 Flame Speed of Stoichiometric Methane/Air Premixed Flame ...........................................36
2.3.6 Parameter Study: Varying Equivalence Ratio of Propane/Air Flame.................................39
2.3.7 Hydrogen/Air Flame ...................................................................................................................46
2.4 Internal Combustion Engine.......................................................................................................................49
2.4.1 Homogeneous Charge Compression Ignition (HCCI) Engine.............................................49
2.5 Simulating a Shock-tube Experiment .......................................................................................................55
2.5.1 Shock-heated Air (Shock) .........................................................................................................55
2.6 Combustion in Complex Flows ..................................................................................................................57
2.6.1 Gas Turbine Network .................................................................................................................57
2.6.2 Jet Flame Network .....................................................................................................................60
2.6.3 Partially Stirred Reactor for Methane/Air ................................................................................64
2.6.4 Side Inlet on a Plug Flow Reactor ...........................................................................................69
2.6.5 Co-flowing Non-premixed CH 4 /Air Flame...............................................................................72
2.7 Particle Tracking Module ............................................................................................................................78
2.7.1 Soot Formation and Growth in a JSR/PFR Reactor .............................................................78
2.8 Chemistry Sets.............................................................................................................................................85
2.8.1 Hydrogen/Air ...............................................................................................................................85
2.8.2 Methane/Air .................................................................................................................................86
2.8.3 NOx and CH 4 , C 2 H 4 , C 2 H 6 , C 3 H 6 , and C 3 H 8 ........................................................................87
2.8.4 Propane/Air..................................................................................................................................87
2.8.5 Ethylene/Air Combustion and Soot Formation and Growth.................................................87
3 Catalytic Processes .................................................................................................................................................91
3.1 Catalytic Combustors, Converters and Aftertreatment ..........................................................................91
3.1.1 Two-Stage Catalytic Combustor ..............................................................................................91
RD0411-C20-000-001 3 © 2007 Reaction Design