DocumentCode
2362672
Title
KinFitSim: a powerful kinetic simulator and mechanism fitting tool
Author
Platz, M.S. ; Svir, I.B. ; Oleinick, A.I. ; Klymenko, O.V.
Author_Institution
Dept. of Chem., Ohio State Univ., Columbus, OH, USA
Volume
1
fYear
2003
fDate
16-20 Sept. 2003
Firstpage
78
Abstract
The mathematical package for simulation of kinetic mechanisms and fitting experimental data (KinFitSim) is presented. The KinFitSim package consists of two major parts. The first part is the kinetic simulator (KS) featuring an advanced kinetic mechanism compilation algorithm and an automatic simulation procedure itself, and the second part is the fitting simulator (FS) for automated fitting of the simulated response of a chemical system with the experimental one.
Keywords
chemistry computing; linear differential equations; reaction kinetics; KinFitSim; automatic simulation; chemical system; fitting simulator; kinetic mechanism compilation algorithm; kinetic simulator; mechanism fitting tool; simulated response; Chemicals; Chemistry; Computational modeling; Differential equations; Gears; Kinetic theory; Laboratories; Mathematical model; Packaging; Performance evaluation;
fLanguage
English
Publisher
ieee
Conference_Titel
Advanced Optoelectronics and Lasers, 2003. Proceedings of CAOL 2003. First International Conference on
Print_ISBN
0-7803-7948-9
Type
conf
DOI
10.1109/CAOL.2003.1250513
Filename
1250513
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