THEORY AND SIMULATION OF TRANSPORT PROPERTIES FOR PENETRABLE-SPHERE MODEL SYSTEMS: II. SHEAR VISCOSITY

被引：0

作者：

Calderon-Moreno, Jose Maria ^{[1
]}

Popa, Monica ^{[1
]}

Parvulescu, Viorica ^{[1
]}

Stanica, Nicolae ^{[1
]}

Suh, Soong-Hyuck ^{[2
]}

机构：

[1] Roumanian Acad, IG Murgulescu Inst Phys Chem, Bucharest 060021, Romania

[2] Keimyung Univ, Dept Chem Engn, Taegu 704701, South Korea

来源：

REVUE ROUMAINE DE CHIMIE | 2012年 / 57卷 / 4-5期

基金：

新加坡国家研究基金会;

关键词：

penetrable-sphere model; molecular dynamics simulation; shear viscosity; empirical Enskog-like approximation; MOLECULAR SIMULATION; COEFFICIENTS; EQUATION; DYNAMICS;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Molecular dynamics simulations have been carried out to investigate the collective transport properties of shear viscosity coefficients in the penetrable-sphere model fluid. A qualitative agreement is found between simulation results and an empirical Enskog-like approximation proposed in this present work. However, the mismatching tendencies are gradually growing with increasing both densities and repulsive energy parameters due to the cluster-forming structure and the phase transition from the fluid-like to the solid-like state. In addition, relevant historical background on viscosity is addressed to sketch the traditional kinetic theory of gases and simulation-based computational approaches.

引用

页码：469 / 475

页数：7

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