Sensitivity analysis in chemical kinetics: Recent developments and computational comparisons

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

doi:10.1002/kin.550160506

Sensitivity analysis in chemical kinetics: Recent developments and computational comparisons

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

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31 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 language	English (US)
Pages (from-to)	559-578
Number of pages	20
Journal	International Journal of Chemical Kinetics
Volume	16
Issue number	5
DOIs	https://doi.org/10.1002/kin.550160506
State	Published - May 1984

All Science Journal Classification (ASJC) codes

Biochemistry
Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

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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.",

author = "Kramer, {Mark A.} and Herschel Rabitz and Calo, {Joseph M.} and Kee, {Robert J.}",

year = "1984",

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AU - Kee, Robert J.

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AB - 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.

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Sensitivity analysis in chemical kinetics: Recent developments and computational comparisons

Abstract

All Science Journal Classification (ASJC) codes

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