Treffer: Decomposition of the permanganate/oxalic acid overall reaction to elementary steps based on integer programming theory
Title:
Decomposition of the permanganate/oxalic acid overall reaction to elementary steps based on integer programming theory
Authors:
Source:
PCCP. Physical chemistry chemical physics (Print). 6(6):1236-1242
Publisher Information:
Cambridge: Royal Society of Chemistry, 2004.
Publication Year:
2004
Physical Description:
print, 17 ref
Original Material:
INIST-CNRS
Subject Terms:
Biochemistry, molecular biology, biophysics, Biochimie, biologie moléculaire, biophysique, General chemistry, physical chemistry, Chimie générale, chimie physique, Atomic molecular physics, Physique atomique et moléculaire, Sciences exactes et technologie, Exact sciences and technology, Chimie, Chemistry, Chimie generale et chimie physique, General and physical chemistry, Diacide carboxylique, Dicarboxylic acid, Diácido carboxílico, Décomposition, Decomposition, Descomposición, Mécanisme, Mechanism, Mecanismo, Oxalique acide, Oxalic acid, Oxálico ácido, Permanganate, Permanganates, Permanganato, Réaction acide, Acid reaction, Reacción ácida, Théorie, Theory, Teoría
Document Type:
Fachzeitschrift
Article
File Description:
text
Language:
English
Author Affiliations:
Department of Physical Chemistry, Eötvös University, Pázmány P. sétâny 1/A, 1117 Budapest, Hungary
Department of Operations Research, Eötvös University, Pázmány P. sétâny 1/C, 1117 Budapest, Hungary
Department of Mathematical Analysis, Budapest University of Technology and Economics, Egry J. u. 1., 1111 Budapest, Hungary
Department of Operations Research, Eötvös University, Pázmány P. sétâny 1/C, 1117 Budapest, Hungary
Department of Mathematical Analysis, Budapest University of Technology and Economics, Egry J. u. 1., 1111 Budapest, Hungary
ISSN:
1463-9076
Rights:
Copyright 2004 INIST-CNRS
CC BY 4.0
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
CC BY 4.0
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Notes:
General chemistry and physical chemistry
Accession Number:
edscal.15662216
Database:
PASCAL Archive
Weitere Informationen
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.