A possible construction of a complex chemical reaction network - I. Definitions and procedure for construction

István Nemes, Tamás Vidóczy, László Botár, Dezsö Gál

Research output: Contribution to journalArticle

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Abstract

A procedure is suggested for the construction of chemical reaction networks. We define the kinetic communication as a transfer of atoms or atomic groups between two species and determine all the kinetic communications occurring in the possible mechanism of a complex chemical process. The set of kinetic communications is the basis of the communication matrices resulting in the complete network of the overall reaction. Limiting the consideration for certain types of kinetic communications we obtain the reaction subnetworks and selecting arbitrarily species among those participating in the possible mechanism we introduced the concept of the partial subnetworks which correspond to subsets of the complete network. By the simple analysis of the subnetworks it is easy to obtain the sequence network indicating the pathways via which the selected species are formed in the course of the overall process, by the transfer of chosen atoms or atomic groups.

Original languageEnglish
Pages (from-to)215-223
Number of pages9
JournalTheoretica chimica acta
Volume45
Issue number3
DOIs
Publication statusPublished - Sep 1 1977

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Keywords

  • Kinetic communication
  • Reaction network, complex chemical ∼

ASJC Scopus subject areas

  • Chiropractics

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