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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Analytica Chimica Ac...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Analytica Chimica Acta
Article . 2009 . Peer-reviewed
License: Elsevier TDM
Data sources: Crossref
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Tutorial: The modelling of chemical processes

Authors: McCann, Nichola; Maeder, Marcel;

Tutorial: The modelling of chemical processes

Abstract

The modelling of chemical processes entails the computation of the concentration profiles of all reaction species as a function of the reaction time. The basis for the calculations is the system of differential equations (ODE's) that is defined by the reaction mechanism. Most textbooks on chemical kinetics concentrate on those few reaction mechanisms that lead to ODE's with explicit solutions. In this tutorial, we demonstrate that numerical integration is a viable alternative, that it can be applied to any mechanism, and that it is easy to do so. Matlab example programs illustrate the concepts and they allow the reader to explore the effects of changing conditions such as initial concentrations or rate constants etc. Example reaction mechanisms include a zero-th order enzymatic reaction and reactions at non-constant temperature and pH.

Related Organizations
Keywords

chemical processes, numerical integration, modeling, reaction mechanism, ODE solver

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
8
Average
Average
Average
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