Accelerated Stochastic Simulation of Large Chemical Systems
Accelerated Stochastic Simulation of Large Chemical Systems
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DOI：
10.1088/0256-307x/24/9/013
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发表时间：
2007-09
影响因子：
3.5
通讯作者：
Chen Xiao;Ao Ling
中科院分区：
文献类型：
--
作者：
Chen Xiao;Ao Ling
为了有效地模拟具有大量反应的化学体系，我们提出了一种快速而准确的直接模拟化学离散马尔可夫过程的算法。该方法采用了将反应组织成分层群的方案。通过生成随机数，实际发生的下一反应的选择是通过在分层组中的几个连续选择来完成的。该算法比直接法或优化直接法快得多，适用于大量反应体系的模拟。为了验证加速算法的有效性，将该加速算法应用于离散空间上的反应扩散布鲁塞尔模型的数值模拟。
For efficient simulation of chemical systems with large number of reactions, we report a fast and exact algorithm for direct simulation of chemical discrete Markov processes. The approach adopts the scheme of organizing the reactions into hierarchical groups. By generating a random number, the selection of the next reaction that actually occurs is accomplished by a few successive selections in the hierarchical groups. The algorithm which is suited for simulating systems with large number of reactions is much faster than the direct method or the optimized direct method. For a demonstration of its efficiency, the accelerated algorithm is applied to simulate the reaction-diffusion Brusselator model on a discretized space.