Modeling and simulating chemical reactions
Higham, Desmond J. (2008) Modeling and simulating chemical reactions. SIAM Review, 50 (2). pp. 347-368. ISSN 0036-1445 (https://doi.org/10.1137/060666457)
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Abstract
Many students are familiar with the idea of modeling chemical reactions in terms of ordinary differential equations. However, these deterministic reaction rate equations are really a certain large-scale limit of a sequence of finer-scale probabilistic models. In studying this hierarchy of models, students can be exposed to a range of modern ideas in applied and computational mathematics. This article introduces some of the basic concepts in an accessible manner and points to some challenges that currently occupy researchers in this area. Short, downloadable MATLAB codes are listed and described.
ORCID iDs
Higham, Desmond J. ORCID: https://orcid.org/0000-0002-6635-3461;-
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Item type: Article ID code: 13549 Dates: DateEvent5 May 2008PublishedSubjects: Science > Mathematics Department: Faculty of Science > Mathematics and Statistics Depositing user: Mrs Irene Spencer Date deposited: 05 Jan 2010 12:20 Last modified: 28 Nov 2024 01:05 URI: https://strathprints.strath.ac.uk/id/eprint/13549