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纳米流体的结构与动力学:计算粘度的理论与模拟

Structure and dynamics of nanofluids: theory and simulations to calculate viscosity.

作者信息

Pozhar LA

机构信息

Department of Chemical and Process Engineering, University of Surrey, Guildford, Surrey, United Kingdom and Institute for Electromagnetic Research, Kharkov, Ukraine.

出版信息

Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 2000 Feb;61(2):1432-46. doi: 10.1103/physreve.61.1432.

DOI:10.1103/physreve.61.1432
PMID:11046424
Abstract

The simplified expression of the Pozhar-Gubbins (PG) rigorous, nonequilibrium statistical mechanical theory of dense, strongly inhomogeneous fluids is used to calculate the viscosity of model fluids confined in a slit pore of several molecular diameters in width in terms of the equilibrium structure factors (i.e., the number density and pair correlation functions) of these nanofluids obtained by means of the equilibrium molecular dynamic simulations. These results are compared to those obtained by means of the nonequilibrium molecular dynamic simulations of the planar Poiseuille flow of the model nanofluids, and to the results supplied by several heuristic expressions for the nanofluid viscosity. This comparison proves that the PG transport theory provides a reliable, quantitatively accurate description of the viscosity coefficients of the model nanofluids while all the heauristic approaches fail. This success of the PG prediction of the nanofluid viscosity is because the theoretical expression accounts accurately for the nanofluid structure.

摘要

采用Pozhar - Gubbins(PG)严格的非平衡统计力学理论对致密、强非均匀流体的简化表达式,根据通过平衡分子动力学模拟得到的这些纳米流体的平衡结构因子(即数密度和对关联函数),计算宽度为几个分子直径的狭缝孔隙中受限模型流体的粘度。将这些结果与通过模型纳米流体平面泊肃叶流动的非平衡分子动力学模拟得到的结果,以及几种纳米流体粘度的启发式表达式给出的结果进行比较。这种比较证明,PG输运理论对模型纳米流体的粘度系数提供了可靠、定量准确的描述,而所有启发式方法均失败。PG对纳米流体粘度预测的这一成功是因为理论表达式准确地考虑了纳米流体结构。

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