Principal component analysis for reducing the Edelson-Field-Noyes model of the Belousov-Zhabotinsky reaction

S. Vajda, T. Turányi

Research output: Contribution to journalArticle

40 Citations (Scopus)

Abstract

Principal component analysis is a general method of extracting kinetic information from the array of sensitivity coefficients computed for several species of a reacting system. Eigenvectors corresponding to small eigenvalues indicate unimportant reactions and/or the validity of simplifying kinetic assumptions, thereby enabling one to optimally reduce the mechanism. Application of the method to the Edelson-Field-Noyes mechanism of the Belousov-Zhabotinsky reaction yields Oregonator-type simple models and clearly shows the kinetic approximations required for such reductions. The relative significance of individual reactions in the EFN mechanism is also determined over different subintervals of the period.

Original languageEnglish
Pages (from-to)1664-1670
Number of pages7
JournalJournal of Physical Chemistry
Volume90
Issue number8
Publication statusPublished - 1986

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principal components analysis
Principal component analysis
Kinetics
kinetics
Eigenvalues and eigenfunctions
eigenvectors
eigenvalues
sensitivity
coefficients
approximation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Principal component analysis for reducing the Edelson-Field-Noyes model of the Belousov-Zhabotinsky reaction. / Vajda, S.; Turányi, T.

In: Journal of Physical Chemistry, Vol. 90, No. 8, 1986, p. 1664-1670.

Research output: Contribution to journalArticle

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