Structural properties of effective potential model by liquid state theories

被引:2
|
作者
Xiang Yuan-Tao [1 ]
Jamnik, Andrej [2 ]
Yang Kai-Wei [1 ]
机构
[1] Cent S Univ, Sch Phys Sci & Technol, Changsha 410083, Peoples R China
[2] Univ Ljubljana, Fac Chem & Chem Technol, SI-1001 Ljubljana, Slovenia
关键词
atomic fluid; classical ensemble; DENSITY-FUNCTIONAL THEORY; HARD-SPHERE FLUID; LENNARD-JONES FLUID; UNIVERSAL CALCULATIONAL RECIPE; GENERALIZED VANDERWAALS THEORY; RADIAL-DISTRIBUTION FUNCTION; REPULSIVE YUKAWA FLUID; DER-WAALS FLUIDS; LAGRANGIAN THEOREM; THERMODYNAMIC PROPERTIES;
D O I
10.1088/1674-1056/19/11/110505
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
This paper investigates the structural properties of a model fluid dictated by an effective inter-particle oscillatory potential by grand canonical ensemble Monte Carlo (GCEMC) simulation and classical liquid state theories The chosen oscillatory potential incorporates basic interaction terms used in modeling of various complex fluids which is composed of mesoscopic particles dispersed in a solvent bath, the studied structural properties include radial distribution function in bulk and inhomogeneous density distribution profile due to influence of several external fields The GCEMC results are employed to test the validity of two recently proposed theoretical approaches in the field of atomic fluids One is an Ornstein-Zernike integral equation theory approach, the other is a third order + second order perturbation density functional theory Satisfactory agreement between the GCEMC simulation and the pure theories fully indicates the ready adaptability of the atomic fluid theories to effective model potentials in complex fluids, and classifies the proposed theoretical approaches as convenient tools for the investigation of complex fluids under the single component macro-fluid approximation
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页数:9
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