KINAL-a program package for kinetic analysis of reaction mechanisms

Research output: Contribution to journalArticle

76 Citations (Scopus)

Abstract

A program package is provided for analysis of kinetic mechanisms on personal computers. KINAL consists of four programs called DIFF, SENS, PROC and YRED. These require similar input data and use common subroutines. DIFF solves stiff differential equations and SENS computes the local concentration sensitivity matrix. PROC generates the rate sensitivity matrix or the quasi-stationary sensitivity matrix from concentration data or uses a matrix computed by SENS and extracts the kinetic information inherent in sensitivity matrices by principal component analysis. Finally, YRED provides suggestions for the elimination of species from the reaction mechanism.

Original languageEnglish
Pages (from-to)253-254
Number of pages2
JournalComputers and Chemistry
Volume14
Issue number3
DOIs
Publication statusPublished - 1990

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Reaction Mechanism
Kinetics
Microcomputers
Principal Component Analysis
Stiff Differential Equations
Subroutines
Personal Computer
Personal computers
Principal component analysis
Elimination
Differential equations

ASJC Scopus subject areas

  • Biotechnology
  • Chemical Engineering(all)
  • Applied Microbiology and Biotechnology

Cite this

KINAL-a program package for kinetic analysis of reaction mechanisms. / Turányi, T.

In: Computers and Chemistry, Vol. 14, No. 3, 1990, p. 253-254.

Research output: Contribution to journalArticle

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