Maximum likelihood estimation of reaction-rate constants

K. M. Hangos, J. Tóth

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

There exists an extensive literature dealing with the estimation of reaction-rate constants of elementary reactions in complex chemical reactions, still it is not thoroughly investigated how to calculate statistically good estimates based upon a stochastic kinetic model. In the present paper a stochastic model is used and maximum likelihood estimates of the parameters are given utilizing the linear dependences of the right side of the kinetic differential equation on the reaction-rate constants. The present approach is capable of treating time continuous (as well as discrete) measurements. The explicit form of the estimate has been given in general cases and it has further been expanded in simple analytical cases. A physicochemical discussion of the applied model has also been included.

Original languageEnglish
Pages (from-to)135-139
Number of pages5
JournalComputers and Chemical Engineering
Volume12
Issue number2-3
DOIs
Publication statusPublished - Jan 1 1988

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ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Computer Science Applications

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