随机模拟化学反应系统的加速L-leap算法  

L-leaping:Accelerating the Stochastic Simulation of Chemically Reacting Systems

作　　者：彭新俊[1] 王翼飞[1] 

机构地区：[1]上海大学数学系,上海200444

出　　处：《应用数学和力学》2007年第10期1213-1222,共10页Applied Mathematics and Mechanics

基　　金：国家自然科学基金资助项目(30571059);国家高科技研究发展计划(863)专项资助项目(2006AA02Z190)

摘　　要：提出了随机模拟化学反应系统的加速L-leap算法,该算法根据leap条件确定具有最大倾向函数的反应通道的反应次数,并利用二项分布随机数生成其它反应通道在当前leap时间区间内的反应次数.L-leap算法可更好地满足leap条件.数值模拟实验表明该算法能取得更好的模拟性能.Presented here is an L-leap method for accelerating stocastic simulation of well stirred chemically reacting systems, in which the number of reactions occuurring of a reaction channel with the largest propensity function is calculated from the leap condition and the numbers of reasons occurring of the other reaction channels are generated by using binomial random variables during a leap. The L-leap method can better satisfy the leap condition. Numerical simulation results indicate that the L-Leap method can obtain better performance than established methods.

关 键 词：L-leap算法 leap条件 随机模拟算法 化学反应系统 

分 类 号：O644[理学—物理化学]