加速随机模拟化学反应系统的“最后所有可能的步进”方法  

"Final All Possible Steps" Approach for Accelerating Stochastic Simulation of Coupled Chemical Reactions

作　　者：周文[1] 彭新俊[1] 刘祥[1] 闫正楼[1] 王翼飞[1] 

机构地区：[1]上海大学数学系

出　　处：《应用数学和力学》2008年第3期342-350,共9页Applied Mathematics and Mechanics

基　　金：国家自然科学基金资助项目(30571059);国家高技术研究发展(S63)计划资助项目(AA0272190)

摘　　要：提出了一种改进的模拟化学反应系统的加速方法,称为"最后所有可能的步进"(FAPS)方法.此方法不仅可以用较少的模拟次数得到整个运行过程中任何时刻物种的统计特性,而且还可以与leap算法相结合,有效地进行大规模的化学反应系统的模拟.数值模拟的结果表明提出的方法可以广泛地应用于多种化学反应系统,并且与已有的方法相比其运行效率有显著的改进.A modified accelerated stochastic simulation method for chemically reacting systems, called the ＂final all possible steps＂ （FAPS） method is developed. The reliable statistics of all species were obtained in any time during the time course with fewer simulation times. Moreover, the FAPS method can be incorporated into the leap methods, which makes the simulation of larger systems more efficient. Numerical results indicate that the proposed methods can be applied to a wide range of chemically reacting systems with a high-precision level and a significant improvement can be obtained on efficiency over the existed methods.

关 键 词：“最后所有可能的步进”方法 随机模拟算法 化学反应系统 

分 类 号：O644[理学—物理化学] O242.1[理学—化学]