Global sensitivity analysis of nonlinear chemical kinetic equations using lie groups: I. Determination of one-parameter groups

C. E. Wulfman, Herschel Albert Rabitz

Research output: Contribution to journalArticle

1 Scopus citations

Abstract

We introduce one-parameter groups of transformations that effect wide-ranging changes in the rate constants and input/output fluxes of homogeneous chemical reactions involving an arbitrary number of species in reactions of zero, first and second order. Each one-parameter group is required to convert every solution of such elementary rate equations into corresponding solutions of a one-parameter family of altered elementary rate equations. The generators of all allowed one-parameter groups are obtained for systems with N species using an algorithm which exactly determines their action on the rate constants, and either exactly determines or systematically approximates their action on the concentrations. Compounding the one-parameter groups yields all many-parameter groups of smooth time-independent transformations that interconvert elementary rate equations and their solutions.

Original languageEnglish (US)
Pages (from-to)243-259
Number of pages17
JournalJournal of Mathematical Chemistry
Volume3
Issue number3
DOIs
StatePublished - Jul 1 1989

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Applied Mathematics

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