%0 Journal Article
%T Coarse-grained Simulations of Chemical Oscillation in Lattice Brusselator System
%A Ting Rao
%A Zhen Zhang
%A Zhong huai Hou
%A Hou wen Xin
%J Chinese Journal Of Chemical Physics
%@ 1003-7713
%V 24
%N 4
%D 2011
%P 425-433
%K Chemical oscillation, Coarse-grained, Kinetic Monte Carlo
%X The oscillation behavior of a two-dimension lattice-gas Brusselator model was investigated. We have adopted a coarse-grained kinetic Monte Carlo (CG-KMC) procedure, where m￡m microscopic lattice sites are grouped together to form a CG cell, upon which CG processes take place with well-defined CG rates. Such a CG approach almost fails if the CG rates are obtained by a simple local mean field (s-LMF) approximation, due to the ignorance of correlation among adjcent cells resulting from the trimolecular reaction in this nonlinear system. By proper incorporating such boundary effects, thus introduce the so-called b-LMF CG approach. Extensive numerical simulations demonstrate that the b-LMF method can reproduce the oscillation behavior of the system quite well, given that the diffusion constant is not too small. In addition, the deviation from the KMC results reaches a nearly zero minimum level at an intermediate cell size, which lies in between the effective diffusion length and the minimal size required to sustain a well-defined temporal oscillation.
%R 10.1088/1674-0068/24/04/425-433
%U http://cjcp.ustc.edu.cn/hxwlxb_en/ch/reader/article_export.aspx?file_no=110427116&flag=1&export_type=EndNote
%1 JIS Version 3.0.0