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Sensitivity analysis in chemical kinetics: Recent developments and computational comparisons
Author(s) -
Kramer Mark A.,
Rabitz Herschel,
Calo Joseph M.,
Kee Robert J.
Publication year - 1984
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550160506
Subject(s) - sensitivity (control systems) , notation , biochemical engineering , parametric statistics , chemistry , chemical kinetics , biological system , computer science , kinetics , statistics , mathematics , engineering , physics , arithmetic , quantum mechanics , electronic engineering , biology
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.