On predicting self-diffusion coefficients from viscosity in gases and liquids

被引:35
|
作者
Suarez-Iglesias, Octavio [1 ]
Medina, Ignacio [1 ]
Pizarro, Consuelo [1 ]
Bueno, Julio L. [1 ]
机构
[1] Univ Oviedo, Dept Ingn Quim & TMA, E-33071 Oviedo, Spain
关键词
self-diffusion; viscosity; molecular simulation; hard-sphere; Lennard-Jones;
D O I
10.1016/j.ces.2007.07.004
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
The relations between self-diffusion and viscosity for compressed liquids and gases have been reviewed, and a new equation for correlating viscosities over wide ranges of temperature and pressure is proposed. This formula is inspired by the Lennard-Jones Chain model of Yu and Gao for self-diffusion, and represents the viscosities of 15 compounds (1046 data points) with an average absolute deviation of 6.95%. Moreover, as the presented equation and the Yu-Gao model require the same fitting parameters, the ability to calculate self-diffusion coefficients from the viscosity parameter is studied. Some of the classic reviewed relations, such as the Stokes-Einstein formula, are also contrasted with the available experimental data of both transport properties. (C) 2007 Elsevier Ltd. All rights reserved.
引用
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页码:6499 / 6515
页数:17
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