若干新兴数值算法在化学动力学中的应用

Application of some new numerical computation methods in chemical reaction kinetics

针对近些年发展起来的若干新兴数值计算方法在化学反应动力学中的应用进行综述。详细介绍了遗传算法,格子玻尔兹曼方法,蒙特卡罗方法和蚁群算法等,在简化化学反应动力学模型,估算化学反应动力学相关参数,求解化学反应动力学控制方程组等方面的应用和研究情况。最后,对新兴数值计算方法在化学反应动力学中的应用前景进行了分析与展望。

The application of some newly-developed numerical computation methods in the chemical reaction kinetics was summarized. The expounding was given to the application of Genetic Algorithm, Lattice Boltzmann method, Monte Carlo method and Ant Colony Algorithm in the reduction of chemical reaction kinetics, as well as the estimation of the chemical kinetic parameters and the calculation of the chemical kinetic equations. The application prospect of the new numerical computation methods in chemical kinetics was foreseen.