General Reaction Rate Problems: Combined Integration and Steady State Analysis,
Abstract
A computer program has been developed for integration of the rate equations for any general chemical reaction mechanism. In particular, free-radical reaction mechanisms may be solved to a controllable degree of accuracy, by using a program option that analyzes the list of components for possible steady state species. The program substitutes algebraic equations for differential equations as such species are found. In contrast to previous work in this area, the selection of a steady state species is made within the program. Typical integration times, over 6-10 order of magnitude of the independent variable, are from 1/2 to 1-1/2 minutes for a reaction scheme of 10-30 elementary chemical reactions. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 01, 1970
- Accession Number
- AD0755948
Entities
People
- Normand M. Laurendeau
- Robert F. Sawyer
Organizations
- University of California, Berkeley