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
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
收藏
页码:469 / 475
页数:7
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