COMPUTATIONAL ALGORITHM FOR THE GREEN-FUNCTION METHOD OF SENSITIVITY ANALYSIS IN CHEMICAL-KINETICS

The recent interest in numerical modeling of chemical kinetics has generated the need for proper analysis of the system sensitivities in such models. This paper describes the logic for a program developed by the authors to implement the Green's function method of sensitivity analysis in complex kinetic schemes. The relevant equations and numerical details of the algorithm are outlined, two flow charts are provided, and some special programming considerations are discussed in some detail. Computer storage and computational time considerations are also treated. Finally, applications of sensitivity information to understanding complex kinetic system behavior and analyzing experimental results are suggested. Copyright © 1979 John Wiley & Sons, Inc.