Software Note: OPTKIN - mechanistic modeling by kinetic and thermodynamic parameter optimization

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17 Citaten (Scopus)

Samenvatting

A program package OPTKIN is presented for the user-friendly development and analysis of complex reaction mechanisms on personal computers. OPTKIN can (1) simulate the evolution with time of the composition of a reaction mixture, (2) optimize rate parameters and/or thermodynamic properties, (3) search for redundant reaction steps, and (4) perform sensitivity analyses.
Originele taal-2English
Pagina's (van-tot)413-417
Aantal pagina's5
TijdschriftComputers & Chemistry
Volume22
Nummer van het tijdschrift5
StatusPublished - 1998

Bibliografische nota

Computers & Chemistry 22(5) (1998) 413-417.

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