Issue 6, 2004
From the journal:

Physical Chemistry Chemical Physics

Decomposition of the permanganate/oxalic acid overall reaction to elementary steps based on integer programming theory

Krisztián Kovács,a   Béla Vizvári,b   Miklós Riedelc  and  János Tóth*d  

* Corresponding authors

a Department of Physical Chemistry, Eötvös University, Pázmány P. sétány 1/A, H-1117 Budapest, Hungary
E-mail: Krisztian.Kovacs@iphysiol.unil.ch

b Department of Operations Research, Eötvös University, Pázmány P. sétány 1/C, H-1117 Budapest, Hungary
E-mail: vizvari@math.elte.hu

c Department of Physical Chemistry, Eötvös University, Pázmány P. sétány 1/A, H-1117 Budapest, Hungary
E-mail: riedel@ludens.elte.hu

d Department of Mathematical Analysis, Budapest University of Technology and Economics, Egry J. u. 1., H-1111 Budapest, Hungary
E-mail: jtoth@math.bme.hu

Abstract

A systematic method to obtain chemically acceptable decompositions of the overall autocatalytic reaction permanganate/oxalic acid into elementary steps is presented. The decomposition process was based on integer programming theory and chemical evidence, and it can be applied to elucidate other mechanisms as well. As a result, we obtained mathematical justification of the well-known autocatalytic nature and of the less-known crucial role of radical CO2−. By inspecting the obtained decompositions, one can find reaction steps inaccessible to chemical intuition, and these point out the direction of further experimental investigations.

About
Cited by
Related
Download options Please wait...

Article information

DOI
https://doi.org/10.1039/B315211A
Article type
Paper
Submitted
24 Nov 2003
Accepted
26 Jan 2004
First published
23 Feb 2004

Phys. Chem. Chem. Phys., 2004,6, 1236-1242

Permissions

Request permissions

Decomposition of the permanganate/oxalic acid overall reaction to elementary steps based on integer programming theory

K. Kovács, B. Vizvári, M. Riedel and J. Tóth, Phys. Chem. Chem. Phys., 2004, 6, 1236 DOI: 10.1039/B315211A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements