A Lattice Monte Carlo analysis on coupled reaction and mass diffusion

被引：6
作者：
Fiedler, T. [1 ]
Belova, I. V. [1 ]
Murch, G. E. [1 ]
机构：
[1] Univ Newcastle, Sch Engn, Univ Ctr Mass & Thermal Transport Engn Mat, Prior Res Ctr Geotech & Mat Modelling, Callaghan, NSW 2308, Australia
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2010年 / 47卷 / 03期
关键词：
Lattice Monte Carlo; Mass diffusion; Chemical reaction; Coupled analysis; EFFECTIVE THERMAL-CONDUCTIVITY; CARLO; MONTE METHOD; FINITE-ELEMENT;
D O I：
10.1016/j.commatsci.2009.11.010
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
For the first time, a newly developed Lattice Monte Carlo (LMC) method is used to determine concentration profiles for combined mass diffusion and chemical reaction. Different chemical reaction models are considered: instantaneous reaction, irreversible reaction and reversible reaction. Several simple problems are addressed so that LMC solutions can be compared to exact analytical and numerical reference solutions. Excellent agreement between analytical solutions and numerical results is obtained. In addition, a more complex scenario is considered in order to present the capability of the new method. (C) 2009 Elsevier B.V. All rights reserved.
引用
收藏
页码：826 / 831
页数：6
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