JCE Digital Library Journal of Chemical Education Division of Chemical Education, American Chemical SocietyAmerican Chemical Society
 | Subscriptions  | Software Orders  | Support  | Contributors  | Advertisers  | 

JCE Print

JCE Digital Library

JCE Software

Only@JCE Online

About JCE


 Home > JCE DLib > Mathcad in Chemistry >
Studying Nonlinear Chemical Dynamics with Numerical Experiments

John Pojman
Department of Chemistry & Biochemistry, University of Southern Mississippi, Hattiesburg, MS 39406-5043

Abstract

Nonlinear chemical dynamics is the study of oscillations, waves, fronts, patterns, and chaos in chemical systems away from equilibrium. An important tool in this field is the use of numerical simulations. We introduce numerical integration for simple chemical rate expressions and examine the limitations to standard methods, illustrating the erroneous results that can be obtained for simple coupled differential equations using two algorithms in Mathcad. We demonstrate phase plane analysis in a simple driven pendulum and the time delay method for reconstructing the systems attractor. We apply the technique to several important systems, including the Lotka-Volterra model, the Brusselator, and the Oregonator. This document contains an extensive bibliography for oscillating reactions.

An attractor with a fixed point.

 
Mathcad documents (fully interactive with Mathcad)
*
PDF versions (non-interactive)
*
Commentary
*
Keywords
JCE Citation
*

* JCE Subscribers only: name and password or institutional IP number access required
 Home > JCE DLib > Mathcad in Chemistry > Studying Nonlinear Chemical Dynamics with Numerical Experiments


JCE Digital Library
is a collection of
NSDL

JCE Digital Library
also includes the following collections
JCE DigiDemos
Tested Demonstrations
JCE WebWare
Web-Based Learning Aids
JCE QBank
Resources for Student Assessment