A multiscale variational approach to the kinetics of viscous classical liquids: The coarse-grained mean field approximation

被引:0
|
作者
Sereda, Yuriy V. [1 ]
Ortoleva, Peter J. [1 ]
机构
[1] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA
来源
JOURNAL OF CHEMICAL PHYSICS | 2014年 / 140卷 / 13期
基金
美国国家科学基金会;
关键词
INHOMOGENEOUS FLUIDS; MASTER-EQUATIONS; ELECTRON GAS; SYSTEMS; DYNAMICS; OPERATOR; VORTEX;
D O I
10.1063/1.4869860
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
A closed kinetic equation for the single-particle density of a viscous simple liquid is derived using a variational method for the Liouville equation and a coarse-grained mean-field (CGMF) ansatz. The CGMF ansatz is based on the notion that during the characteristic time of deformation a given particle interacts with many others so that it experiences an average interaction. A trial function for the N-particle probability density is constructed using a multiscale perturbation method and the CGMF ansatz is applied to it. The multiscale perturbation scheme is based on the ratio of the average nearest-neighbor atom distance to the total size of the assembly. A constraint on the initial condition is discovered which guarantees that the kinetic equation is mass-conserving and closed in the singleparticle density. The kinetic equation has much of the character of the Vlasov equation except that true viscous, and not Landau, damping is accounted for. The theory captures condensation kinetics and takes much of the character of the Gross-Pitaevskii equation in the weak-gradient short-range force limit. (C) 2014 AIP Publishing LLC.
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页数:12
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