howtousechemkin-ii.doc

How to use Chemkin-II (Summary and condensed instructions for using the Chemkin-II and transport property databases, subroutine libraries, and application codes on the HP workstations) Submitted to: Dr. Thomas Fletcher By: Jeffrey E. Davidson September 18, 1996 Table of Contents Title Page i Table of Contents ii Introduction 1 Introduction to the HP Work Stations 3 The Tool Bar 3 Essential UNIX Commands 5 Other useful commands and tricks in Unix 8 Equilibrium Calculations using Chemkin-II 10 Instructions for using the Chemkin Equilibrium Solver 10 Example Problems for Chemkin Equilibrium Program 13 Laminar, Pre-mixed, One-dimensioned Flame Calculations 14 Setting up a Premixed Flame Problem 14 Example Problems for Premixed Laminar Flame 20 Perfectly Stirred Reactor Calculations 22 Setting up a PSR problem 22 Example Problems for the Perfectly Stirred Reactor 27 Extracting Transport Data from Chemkin 28 Instructions for Extracting Transport Properties 28 Transferring data from the HP workstations to a PC 31 Programing using Chemkin-II 32 Calculations using Global Mechanisms 36 Calculations Using Global Mechanisms 37 Installing the Chemkin Programs into your Directory 38 References 39 Appendix 40  How to use Chemkin-II Introduction Chemkin-II is a collection of data bases and subroutines written in text files and in FORTRAN code for solving problems involving gas-phase kinetics, equilibrium and transport properties. There are many different types of problems that can be solved using the Chemkin subroutines. Driver programs (programs that direct the subroutines and control the input/output files) have been written for the following types of problems: 1. Adiabatic flame temperatures. 2. Equilibrium concentrations for a gas mixtures. 3. Species mole fractions as a function of time in laminar, steady state, premixed flames when temperature profile in known. 4. Flame speed, species mole fractions and temperature profile as a