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Exploring Exotic Kinetics: An Introduction to the Use of Numerical Methods in Chemical Kinetics

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Michelle M. Francl

Department of Chemistry, Bryn Mawr College, Bryn Mawr, PA 19010

J. Chem. Educ., 2004, 81 (10), p 1535

DOI: 10.1021/ed081p1535.2

Publication Date (Web): October 1, 2004

Abstract

The use of numerical methods to solve systems of partial differential equations for chemical kinetics is introduced using a Mathematica notebook. The principles of numerical integration are briefly presented. The Runge–Kutta algorithm is used to explore two simple mechanisms as well as an auto-catalyzed system (Lotka–Volterra) which exhibits exotic kinetic behaviors.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

JCE SymMath: Symbolic Mathematics in Chemistry

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Mathematics / Symbolic Mathematics

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This article has been cited by 1 ACS Journal articles (1 most recent appear below).

A Convenient Tool for the Stochastic Simulation of Reaction Mechanisms
Nikolaos Bentenitis
Journal of Chemical Education2008 85 (8), 1146
- A Convenient Tool for the Stochastic Simulation of Reaction Mechanisms
  Nikolaos Bentenitis
  Journal of Chemical Education2008 85 (8), 1146
  The article introduces the stochastic simulation of chemical reactions with Chemical Kinetics Simulator, CKS, a free, easy-to-use, and powerful program. After familiarizing themselves with the Monte Carlo method of stochastic simulation and CKS, students ...
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