General chemical kinetics computer program for complex gas mixtures has been developed. Program can be used for any homogeneous reaction in either one dimensional flow or static system. It is flexible, accurate, and easy to use. It can be used for any chemical system for which species thermodynamic data and reaction rate constant data are known

Bittker, D. A.

Scullin, V. J.

English

NASA Technical Reports Server

September 1972	 B72-10580 
NASA TECH BRIEF 
Lewis Research Center 
NASA Tech Briefs announce new technology derived from the U.S. space program. They are issued to encourage 
commercial application. Tech Briefs are available on a subscription basis from the National Technical Information 
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be directed to the Technology Utilization Office, NASA, Code KT, Washington, D.C. 20546. 
Chemical Kinetics Computer Program 
for Static and Flow Reactions 
A general chemical kinetics computer program for 
complex gas mixtures has been developed. This program 
can be used for any homogeneous reaction in either one 
dimensional flow or a static system. It is flexible, accu-
rate, and easy to use. It can be used for any chemical 
system for which species I thermodynamic data and re-
action rate constant data are known. The program 
handles several types of reaction: biomolecular exchange 
reactions, unimolecular decompositions, bimolecular de-
compositions, and the reverse recombination processes. 
An implicit numerical integration method is used for 
the solution of the differential equations that describe 
complex reaction. A new step size optimization pro-
cedure has been developed to make this technique work 
efficiently for a wide range of conditions. This includes 
the extremes of very slow and very fast reactions. 
The program can be used to compute: (1) chemical 
reaction behind a shock wave, (2) ignition and com-
bustion in a flowing or static system, (3) ignition, com-
bustion, and nozzle expansion in supersonic flow, (4) 
chemical reaction in any flowing gas mixture whose 
velocity does not reach the speed of sound, (5) chemical
reaction in any static system, and (6) constant tem-
perature and/or constant volume reactions. 
Notes: 
1. This program is written in FORTRAN IV, Version 
13, for use on an IBM 7044 .7094/Direct Couple 
System. 
2. Inquiries concerning this program should be directed 
to:
COSMIC 
112 Barrow Hall 
University of Georgia 
Athens, Georgia 30601 
Reference: LEW-1 1467 
Source: D. A. Bittker and V. J. Scullin

Lewis Research Center 
(LEW-1 1467) 
Category 09,04 
This document was prepared under the sponsorship of the National
	 Government assumes any liability resulting from the use of the 
Aeronautics and Space Administration. Neither the United States
	 information contained in this document, or warrants that such use 
Government nor any person acting on behalf of the United States	 will be free from privately owned rights.
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Chemical kinetics computer program for static and flow reactions

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