NONEQUILIBRIUM MOLECULAR-DYNAMICS APPROACHES TO TRANSPORT-PROPERTIES AND NON-NEWTONIAN FLUID RHEOLOGY

被引：103

作者：

CUMMINGS, PT ^{[1
]}

EVANS, DJ ^{[1
]}

机构：

[1] AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA,ACT 2601,AUSTRALIA

来源：

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | 1992年 / 31卷 / 05期

关键词：

D O I：

10.1021/ie00005a001

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

In this paper, we review nonequilibrium and equilibrium molecular dynamics methods for computing transport coefficients (shear viscosity, thermal conductivity, and diffusivity) of fluids from a knowledge of pair interactions between molecules. We describe the application of the nonequilibrium methods to predicting transport properties in many systems of industrial interest and to the understanding of fundamental aspects of polymer rheology.

引用

页码：1237 / 1252

页数：16

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