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The Simulation of Dynamic Systems

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Sidney Toby and Frina S. Toby

Department of Chemistry, Rutgers, the State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854-8087

J. Chem. Educ., 1999, 76 (11), p 1584

DOI: 10.1021/ed076p1584

Publication Date (Web): November 1, 1999

Abstract

A method, suitable for undergraduates, is given for simulating dynamic systems. The program used is free of copyright and when used with a fast PC will integrate a typical mechanism in a few seconds, making unnecessary any assumptions about steady states, quasi equilibrium, or rate-determining steps. The examples discussed include both chemical and nonchemical systems and vary in complexity from two steps for a simple population problem to 21 steps for a model of HIV infection. Included also are examples of oscillatory behavior. Questions for students are given for each of nine examples.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Chemical Education Research

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Computational Chemistry

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Citing Articles

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This article has been cited by 3 ACS Journal articles (3 most recent appear below).

A Convenient Tool for the Stochastic Simulation of Reaction Mechanisms
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- A Convenient Tool for the Stochastic Simulation of Reaction Mechanisms
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  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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Two Examples of Deterministic versus Stochastic Modeling of Chemical Reactions
José Mira and Camino González Fernández , Joaquín Martínez Urreaga
Journal of Chemical Education2003 80 (12), 1488
- Two Examples of Deterministic versus Stochastic Modeling of Chemical Reactions
  José Mira and Camino González Fernández , Joaquín Martínez Urreaga
  Journal of Chemical Education2003 80 (12), 1488
  The numerical simulation of chemical reactions can be carried out using deterministic or stochastic models. The deterministic simulation gives the average behavior of the system, which is a suitable representation of the reaction when the number of ...
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Journal of Chemical Education2002 79 (5), 578
- Saving a Drug Poisoning Victim: A Kinetics Simulation
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  Journal of Chemical Education2002 79 (5), 578
  In this project, students, posing as hospital emergency room physicians, must save the life of a child who has accidentally overdosed on the asthma medication, theophylline. The progress of the drug through the child's body can be modeled as a chemical ...
  Abstract | Hi-Res PDF | PDF w/ Links