应用MATLAB分析模拟化学振荡的过程  

Analyzing and modeling chemical oscillations with MATLAB

作　　者：雷惊雷[1] 李凌杰[1] 胡艳丽[1] 刘仁龙[1] 张胜涛[1] 

机构地区：[1]重庆大学化学化工学院,重庆400044

出　　处：《计算机与应用化学》2008年第2期159-163,共5页Computers and Applied Chemistry

基　　金：国家自然科学基金(20603049)

摘　　要：化学振荡反应作为非线性科学研究的真实典型范例,采用传统的计算机语言编程,作理论分析模拟烦琐而困难。本文建议用MATLAB功能强大的solve,jacobian,eig,ode,plot等内部函数,对Lotka-Volterra和Belousov-Zhabotinsky两个典型的化学振荡反应进行理论分析和数值模拟。结果表明MATLAB能够可靠、简便地寻找出振荡动力学区域并对化学动力学方程组数值积分,可以成为化学振荡理论研究的有力工具。Chemical oscillations are typical and real paradigms for nonlinear dynamics investigations. However, because of the complexities of the chemical oscillation reactions, it is difficult to analyze and model chemical oscillations theoretically with traditional computer languages such as Fortran and C language. MATLAB is a high-performance language for technical computing. In this paper, two well-known chemical oscillation systems, Lotka-Voherra and Belousov-Zhabotinsky systems, are analyzed theoretically based on the linear stability theory with MATLAB. According to the chemical and physical principles, dynamic equations are built to describe the reactions in the oscillation system. Then the oscillation regions and curves of these systems are obtained with suitable MATLAB internal functions： solve is used to obtain the steady state, jacobian is employed to calculate the jacobi matrix, eig is applied to compute the eigenvalues of the jacobi matrix and ode is used to integrate the system of differential equations. Using these functions, analyzing and simulating the chemical oscillations are very easy and reliable. Moreover, function plot can plot and output the oscillation curves, which is helpful for observing the oscillation behaviors of the systems directly. MATLAB is hence considered as a powerful tool for modeling chemical oscillations as the alternative of traditional computer languages.

关 键 词：化学振荡 MATLAB 动力学体系 线性稳定性分析 模拟 

分 类 号：O64[理学—物理化学] TP312[理学—化学]