A computational algorithm for the Green's function method of sensitivity analysis in chemical kinetics

Eugene P. Dougherty, Herschel Rabitz

Research output: Contribution to journalArticle

38 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)1237-1248
Number of pages12
JournalInternational Journal of Chemical Kinetics
Volume11
Issue number12
DOIs
StatePublished - Dec 1979

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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