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随机模拟化学反应系统的加速L-leap算法
引用本文:彭新俊,王翼飞.随机模拟化学反应系统的加速L-leap算法[J].应用数学和力学,2007,28(10):1213-1222.
作者姓名:彭新俊  王翼飞
作者单位:上海大学 数学系,上海 200444
基金项目:国家自然科学基金;国家高技术研究发展计划(863计划)
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.

关 键 词:L-leap算法    leap条件    随机模拟算法    化学反应系统
文章编号:1000-0887(2007)10-1213-10
收稿时间:2007-04-18
修稿时间:2007-04-18

L-leaping: Accelerating the Stochastic Simulation of Chemically Reacting Systems
PENG Xin-jun,WANG Yi-fei.L-leaping: Accelerating the Stochastic Simulation of Chemically Reacting Systems[J].Applied Mathematics and Mechanics,2007,28(10):1213-1222.
Authors:PENG Xin-jun  WANG Yi-fei
Institution:Department of Mathematics, Shanghai University, Shanghai 200444, P. R. China
Abstract:Presented here is an L-leap method for accelerating stochastic simulation of well stirred chemically reacting systems,in which the number of reactions occurring of a reaction channel with the largest propensity function is calculated from the leap condition and the numbers of reactions 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.
Keywords:L-leap algorithm  leap condition  stochastic simulation algorithm  chemically reacting system
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