Publication detail

Rates of Reactions as a Mathematical Consequence of the Permanence of Atoms and the Role of Independent Reactions in the Description of Reaction Kinetics.

PEKAŘ, M.

Original Title

Rates of Reactions as a Mathematical Consequence of the Permanence of Atoms and the Role of Independent Reactions in the Description of Reaction Kinetics.

Type

journal article in Web of Science

Language

English

Original Abstract

Linear algebra treatment of the permanence of atoms (mass conservation) naturally leads to the transformation of formation or destruction rates of components of a reaction mixture into rates of reaction steps, which are sufficient to describe the transformations mathematically. These steps form a scheme of independent reactions which can provide a rational basis for elucidating the reaction mechanism (network) while reducing both the component and parametric dimensionality of the description of kinetics. Several particular reaction examples are used to explain the method and show that rates of additional, dependent reactions cannot be unambiguously related to measured component rates. They also illustrate how the rates of dependent reactions can be correctly expressed in terms of the rates of independent reactions. The method starts only with a knowledge of the components of a reaction mixture. It is argued that the design of consistent reaction networks or mechanisms should take into account not only chemistry but also mathematics.

Keywords

kinetics; reaction rate; independent reactions; dimensionality reduction; stoichiometry

Authors

PEKAŘ, M.

Released

1. 9. 2018

Publisher

Frontiers

ISBN

2296-2646

Periodical

Frontiers in Chemistry

Year of study

6

Number

35

State

Swiss Confederation

Pages from

1

Pages to

10

Pages count

10

URL

https://www.frontiersin.org/article/10.3389/fchem.2018.00287/full

Full text in the Digital Library

http://hdl.handle.net/11012/193223

BibTex

@article{BUT150213,
  author="Miloslav {Pekař}",
  title="Rates of Reactions as a Mathematical Consequence of the Permanence of Atoms and the Role of Independent Reactions in the Description of Reaction Kinetics.",
  journal="Frontiers in Chemistry",
  year="2018",
  volume="6",
  number="35",
  pages="1--10",
  doi="10.3389/fchem.2018.00287",
  issn="2296-2646",
  url="https://www.frontiersin.org/article/10.3389/fchem.2018.00287/full"
}