Accession Number : AD0755948

Title :   General Reaction Rate Problems: Combined Integration and Steady State Analysis,

Corporate Author : CALIFORNIA UNIV BERKELEY DEPT OF MECHANICAL ENGINEERING

Personal Author(s) : Laurendeau,Normand M. ; Sawyer,Robert F.

Report Date : DEC 1970

Pagination or Media Count : 90

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)

Descriptors :   (*REACTION KINETICS, *COMPUTER PROGRAMS), CHEMICAL EQUILIBRIUM, NUMERICAL ANALYSIS, NONLINEAR DIFFERENTIAL EQUATIONS, NUMERICAL INTEGRATION

Subject Categories : Physical Chemistry
      Computer Programming and Software

Distribution Statement : APPROVED FOR PUBLIC RELEASE