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1. Introduction
2. Thermodynamic Data
2.1. Thermodynamic Data Format
2.2. Default Data Format
2.2.1. Using More than Two Temperature Ranges
2.2.2. Creating Very Large Molecules with Unlimited Number of Elements
2.2.3. Surface-Coverage Dependent Enthalpy of Surface Species
2.2.4. Gas Species Radiation Absorption Coefficients
2.3. Standard State Enthalpies and Entropies at 298 K
2.4. Input in 9-Coefficient Format (NASA9)
2.5. Liquid Species Thermodynamic Data
2.5.1. Data Format
2.5.2. Cubic EOS (CuEOS) Liquid Density Models
3. Gas-phase Kinetics Input
3.1. Element Data
3.2. Species Data
3.3. Thermodynamic Data
3.4. Real Gas Data
3.5. Transport Data
3.6. Reaction Mechanism Description
3.6.1. REACTIONS Line Options
3.6.2. Reaction Data
3.6.3. Auxiliary Reaction Data
3.6.3.1. Problems Having No Reactions
3.6.4. Error Checks
4. Surface Kinetics Input
4.1. Material Declaration
4.2. Site Data
4.3. Bulk Data
4.4. Thermodynamic Data
4.5. Reaction Mechanism Description
4.5.1. REACTIONS Line Options
4.5.2. Reaction Data
4.5.2.1. Vapor-Liquid Phase Transfer
4.5.3. Auxiliary Reaction Data
4.5.3.1. Summary of Auxiliary Reaction Data
4.5.4. Problems Having No Reactions
4.5.5. Error Checks
5. Transport Database
5.1. Transport Data Format
5.2. Including Transport Data in the Gas-phase Kinetics Input File
5.3. Transport Data Included with CHEMKIN
6. Description and Properties of Particles
6.1. Description and Properties of the Particle Material
6.1.1. Dispersed Material
6.1.2. Particle Composition
6.1.3. Particle Class
6.1.4. Mass and Volume of an Individual Particle
6.1.5. Diameter and Surface Area of an Individual Particle
7. Using Utilities
7.1. Mechanism Conversion Utility
7.2. Using the FITDAT Utility
7.3. Running FITDAT from the User Interface
7.4. Programming with FITDAT
7.5. Keyword Syntax and Rules
7.6. FITDAT Keywords
7.7. FITDAT Examples
7.7.1. DATA CHEM Input Format
7.7.2. POLY CHEM Input Format
7.7.3. DATA NIST Input Format
7.7.4. POLY SHOM Input Format
7.7.5. DATA NASA Input Format
7.7.6. POLY NASA Input Format
7.7.7. DATA JANAF Input Format
7.7.8. VIBE Input Format
7.7.9. Example FITDAT Outputs
8. CHEMKIN Project Input: Keyword Syntax and Rules
9. Reference Guide to Project Input Keywords
9.1. Closed 0-D Reactor Models
9.1.1. Internal Combustion HCCI Engine
9.1.2. Closed Homogeneous Batch Reactor
9.1.3. Closed Partially Stirred Reactor
9.1.4. Closed Plasma Reactor
9.1.5. Multi-Zone HCCI Engine Simulator
9.1.6. SI Engine Zonal Simulator
9.1.7. Direct Injection Diesel Engine Simulator
9.1.8. Closed Multiphase Reactor
9.2. Open 0-D Reactor Models
9.2.1. Perfectly Stirred Reactor
9.2.2. Plasma Perfectly Stirred Reactor
9.2.3. Partially Stirred Reactor
9.2.4. Open Multiphase Reactor
9.3. Flow Reactor Models
9.3.1. Plug Flow Reactor
9.3.2. Plasma Plug Flow Reactor
9.3.3. Planar Shear Flow
9.3.4. Cylindrical Shear Flow
9.3.5. Honeycomb Monolith Reactor
9.4. Flame Simulators
9.4.1. Premixed Laminar Burner-stabilized Flame Simulator
9.4.2. Flame Speed Simulator
9.4.3. Opposed-flow Flame Simulator
9.4.4. Premixed Laminar Burner-stabilized Stagnation Flow Flame Simulator
9.4.5. Flame-Extinction Simulator
9.4.6. Diffusion Flamelet Generator
9.5. CVD Reactors
9.5.1. Stagnation Flow CVD Reactor
9.5.2. Rotating Disk CVD Reactor
9.6. Shock Tube Reactors
9.6.1. Normal Incident Shock
9.6.2. Normal Reflected Shock
9.7. Miscellaneous Reactor Models
9.7.1. Gas Mixer
9.7.2. Equilibrium
9.7.3. Mechanism Analyzer
10. Alphabetical Listing of Project Input Keywords
10.1. Alphabetical Listing of Keywords [A-E]
10.2. Alphabetical Listing of Keywords [F-O]
10.3. Alphabetical Listing of Keywords [P-S]
10.4. Alphabetical Listing of Keywords [T-Z]
Bibliography