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| Exploring Exotic Kinetics: An Introduction to the Use of Numerical Methods in Chemical Kinetics© |
Michelle M. Francl
Department of Chemistry
Bryn Mawr College
Bryn Mawr, PA 19010
United States
mail to: mfrancl@brynmawr.edu
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| 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. The exercise can be used in the introductory physical chemistry course as a capstone exercise for chemical kinetics, or in the lecture to introduce numerical methods and exotic kinetic behaviors such as oscillatory reactions and chaotic behavior. An exercise for mastery based on the Gray-Scott mechanism for glycolysis is included.
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Keywords |
| Audiences: |
Upper-Division Undergraduate |
| Pedagogies: |
Computer-Based Learning |
| Domains: |
Physical Chemistry |
| Topics: |
Chemometrics, Computational Chemistry, Kinetics, Mathematics / Symbolic Mathematics, Mechanisms of Reactions, Reactions |
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Comments to: mfrancl@brynmawr.edu
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©Copyright 2004 Journal of Chemical Education
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