First-order chemical reaction networks I

theoretical considerations

Roland Tóbiás, László L. Stacho, Gyula Tasi

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Our former study Tóbiás and Tasi (J Math Chem 54:85, 2016) is continued, where a simple algebraic solution was given to the kinetic problem of triangle, quadrangle and pentangle reactions. In the present work, after defining chemical reaction networks and their connectedness, first-order chemical reaction networks (FCRNs) are studied on the basis of the results achieved by Chellaboina et al. (Control Syst 29:60, 2009). First, it is proved that an FCRN is disconnected iff its coefficient matrix is block diagonalizable. Furthermore, mass incompatibility is used to interpret the reducibility of subconservative networks. For conservative FCRNs, the so-called marker network is introduced, which is linearly conjugate to the original one, to describe the zero eigenvalue associated to the coefficient matrix of an FCRN. Instead of using graph-theoretical concepts, simple algebraic tools are applied to present and solve these problems. As an illustration, an industrially important ten-component (formal) FCRN is presented which has algebraically exact solution.

Original languageEnglish
Pages (from-to)1-16
Number of pages16
JournalJournal of Mathematical Chemistry
DOIs
Publication statusAccepted/In press - Jun 14 2016

Fingerprint

Chemical Reaction Networks
Chemical reactions
First-order
Pentagon
Reducibility
Connectedness
Coefficient
Triangle
Exact Solution
Linearly
Kinetics
Eigenvalue
Zero
Graph in graph theory

Keywords

  • Algebraic model
  • First-order reaction network
  • Marker network
  • Mass incompatibility
  • Multiplicity of the zero eigenvalue
  • Network decomposition

ASJC Scopus subject areas

  • Chemistry(all)
  • Applied Mathematics

Cite this

First-order chemical reaction networks I : theoretical considerations. / Tóbiás, Roland; Stacho, László L.; Tasi, Gyula.

In: Journal of Mathematical Chemistry, 14.06.2016, p. 1-16.

Research output: Contribution to journalArticle

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