Sensitivity analysis in chemical kinetics: Recent developments and computational comparisons

Mark A. Kramer, Herschel Rabitz, Joseph M. Calo, Robert J. Kee

Research output: Contribution to journalArticlepeer-review

27 Scopus citations

Abstract

The advantages and disadvantages of various methods of parametric sensitivity analysis in chemical kinetic modeling are discussed. Particular attention is given to estimates of computational labor for realistic problems, and quantitative comparisons are made utilizing a 52‐reaction, 11‐species CO oxidation mechanism. The authors′ CHEMSEN/AIM program compares favorably to other techniques in many circumstances, and provides the additional convenience of accepting input information in familiar chemical notation. This paper also reviews recent developments in theory of sensitivity analysis, relevant to chemical kinetic modeling.

Original languageEnglish (US)
Pages (from-to)559-578
Number of pages20
JournalInternational Journal of Chemical Kinetics
Volume16
Issue number5
DOIs
StatePublished - May 1984

All Science Journal Classification (ASJC) codes

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

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