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1. Introduction
1.1. About this Manual
1.2. Overview of the Chemkin Software
1.3. Starting Chemkin
1.3.1. Windows
1.3.2. Linux
1.4. Setting Up a Problem with Chemkin
1.5. Modifying the Memory Limits for the Chemkin Interface
1.6. The Ansys Product Improvement Program
1.7. Verifying Your Installation
2. Using the Chemkin Interface
2.1. Explore the Working Environment
2.1.1. Ribbon Groups, Menus, and Icon Bars
2.1.2. Tree / Palette View
2.1.2.1. Open Projects Tab
2.1.2.2. Models Tab
2.1.3. Working Area
2.1.3.1. Icon States in the Diagram View
2.1.3.2. Inlet and Outlet Connections for Open Flow Reactors
2.1.4. Explanation of Initialization Connections
2.1.5. Solving Complex Reactor Networks
2.1.6. Message Area
2.2. Open a Sample Project File
2.2.1. Diagram View
2.2.1.1. Buttons at the Bottom of Panel
2.2.2. Pre-Processing
2.2.2.1. Viewing Data with the Mechanism Viewer
2.2.2.2. Additional Checks of the Mechanism
2.2.3. Cluster Properties
2.2.4. Reactor Properties
2.2.5. Inlet Properties
2.2.6. Solver Parameters
2.2.7. Output Control
2.2.7.1. Output as CSV File
2.2.8. Continuations
2.2.9. Run Calculations
2.2.10. Post-process the Solution
2.3. Create a New Multiple-reactor Cluster Project
2.3.1. Create a New Project
2.3.2. Create a Diagram for a Cluster of PSRs
2.3.2.1. Changing the Layout of Icons and Connections in Diagram View
2.3.3. Set the Working Directory and Chemistry Set
2.3.4. Customize Your Reactor Network Model
2.3.4.1. Rename Reactors and Inlets
2.3.5. Define the Cluster Parameters and Run the Model
2.3.6. Running the Visualizer
2.3.7. Adding Selective Catalytic Reduction to the Thermal Cycle Diagram
2.3.8. Running the Visualizer
2.4. Archiving and Unarchiving Projects
2.5. Managing Preferences
2.5.1. General Settings
2.5.2. Model Settings
2.5.3. Unit Settings
2.5.4. File Extensions
2.5.5. Diagram
2.5.6. Mouse Context
2.6. Managing Profiles
2.6.1. Create a New Profile
2.6.2. Edit an Existing Profile
2.6.3. Import Data to a Profile
2.6.4. Export Data from a Profile
2.7. File Extensions Used By Chemkin
2.8. Copying and Pasting Project Components
2.9. Mapping Reactor Models to Application Programs
2.10. Utilities
2.10.1. Chemistry Set Pre-processor
2.10.2. Upgrade Solution File
2.10.3. Export Solution to a Text File
2.10.4. FITDAT Utility for Fitting Polynomials to Thermodynamic Data
2.11. Chemkin Simulation in Ansys Workbench
2.11.1. Working in Chemkin as a Component
2.11.2. Tutorial on Optimization of IC Engine Performance and Emissions
2.11.3. Visualization in Chemkin as a Component System
3. Acquiring Chemical Data
3.1. Mechanisms Included With the Chemkin Installation
3.1.1. C2_NOx Mechanism
3.1.2. GRImech 3.0
3.2. Finding Chemical Reaction Mechanisms
3.3. Developing Chemical Reaction Mechanisms
3.3.1. Thermochemical Data
3.3.1.1. FITDAT Utility
3.3.2. Gas-Phase Chemistry
3.3.3. Surface Chemistry
3.3.4. Transport Data
4. Using the Command Line
4.1. Ansys Chemkin Windows Environment
4.1.1. Establish the Runtime Environment
4.1.2. Establish the Chemkin Variables
4.2. Chemkin Linux Environment
4.3. Sourcing Setup Files
4.3.1. Verifying Sourcing
4.3.2. Sourcing from Login File
4.4. Running Chemkin Programs
4.4.1. Running A Sample Step by Step
4.4.2. Program Names for Reactor Models
4.4.3. Command Line Argument Options
4.5. Running the GetSolution Utility to Extract Solution Data
4.6. Running the GetFlow Utility to Extract Solution Data
4.7. Running Parameter Studies from the Command Line
5. Getting Help and Support
5.1. Tool-tips
5.2. User Manuals
5.3. Installation, Licensing, and Configuration Help
5.4. Technical Support
Bibliography