Detail publikačního výsledku

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.

Originální název

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

Anglický název

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

Druh

Článek WoS

Originální abstrakt

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.

Anglický abstrakt

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.

Klíčová slova

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

Klíčová slova v angličtině

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

Autoři

PEKAŘ, M.

Rok RIV

2019

Vydáno

01.09.2018

Nakladatel

Frontiers

ISSN

2296-2646

Periodikum

Frontiers in Chemistry

Svazek

6

Číslo

35

Stát

Švýcarská konfederace

Strany od

1

Strany do

10

Strany počet

10

URL

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

Plný text v Digitální knihovně

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"
}

Dokumenty

fchem-06-00287