The shear viscosity of rigid water models

被引：309

作者：

Angel Gonzalez, Miguel ^{[1
]}

Abascal, Jose L. F. ^{[1
]}

机构：

[1] Univ Complutense Madrid, Fac Ciencias Quim, Dept Quim Fis, E-28040 Madrid, Spain

来源：

JOURNAL OF CHEMICAL PHYSICS | 2010年 / 132卷 / 09期

关键词：

shear strength; viscosity; LIQUID WATER; COMPUTER-SIMULATIONS; POTENTIAL FUNCTIONS; DYNAMICS; TIP4P/2005; DENSITY;

D O I：

10.1063/1.3330544

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this work, the shear viscosity at ambient conditions of several water models (SPC/E, TIP4P, TIP5P, and TIP4P/2005) is evaluated using the Green-Kubo formalism. The performance of TIP4P/2005 is excellent, that of SPC/E and TIP5P is more or less acceptable, whereas TIP4P and especially TIP3P give a poor agreement with experiment. Further calculations have been carried out for TIP4P/2005 to provide a wider assessment of its performance. In accordance with experimental data, TIP4P/2005 predicts a minimum in the shear viscosity for the 273 K isotherm, a shift in the minimum toward lower pressures at 298 K, and its disappearance at 373 K.

引用

页数：2

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