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A computational algorithm for the Green's function method of sensitivity analysis in chemical kinetics
Author(s) -
Dougherty Eugene P.,
Rabitz Herschel
Publication year - 1979
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.550111203
Subject(s) - sensitivity (control systems) , function (biology) , algorithm , computer science , flow (mathematics) , experimental data , biological system , chemistry , mathematics , mechanics , engineering , physics , evolutionary biology , electronic engineering , biology , statistics
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.