A Monte Carlo model for determination of binary diffusion coefficients in gases

被引：6

作者：

Panarese, A. ^{[2
]}

Bruno, D. ^{[3
]}

Colonna, G. ^{[3
]}

Diomede, P. ^{[1
]}

Laricchiuta, A. ^{[3
]}

Longo, S. ^{[1
,3
]}

Capitelli, M. ^{[1
,3
]}

机构：

[1] Univ Bari, Dept Chem, Bari, Italy

[2] Univ Bari, Dept Phys, Bari, Italy

[3] CNR IMIP Bari, Bari, Italy

来源：

JOURNAL OF COMPUTATIONAL PHYSICS | 2011年 / 230卷 / 14期

关键词：

Transport properties; Monte Carlo method; Diffusion coefficient; STATE VIBRATIONAL-RELAXATION; COLLISION INTEGRALS; INTERATOMIC FORCES; CROSS-SECTIONS; TRANSPORT; POLARIZABILITY; ANISOTROPY; STRENGTH; NITROGEN; SYSTEMS;

D O I：

10.1016/j.jcp.2011.03.053

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

A Monte Carlo method has been developed for the calculation of binary diffusion coefficients in gas mixtures. The method is based on the stochastic solution of the linear Boltzmann equation obtained for the transport of one component in a thermal bath of the second one. Anisotropic scattering is included by calculating the classical deflection angle in binary collisions under isotropic potential. Model results are compared to accurate solutions of the Chapman-Enskog equation in the first and higher orders. We have selected two different cases, H-2 in H-2 and O in O-2, assuming rigid spheres or using a model phenomenological potential. Diffusion coefficients, calculated in the proposed approach, are found in close agreement with Chapman-Enskog results in all the cases considered, the deviations being reduced using higher order approximations. (C) 2011 Elsevier Inc. All rights reserved.

引用

页码：5716 / 5721

页数：6

共 31 条

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