Structural properties of effective potential model by liquid state theories
作者： Yuan-Tao Xiang , Kai-Wei Yang
DOI: 10.1088/1674-1056/19/11/110505
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摘要: This paper investigates the structural properties of a model fluid dictated by an effective inter-particle oscillatory potential grand canonical ensemble Monte Carlo (GCEMC) simulation and classical liquid state theories. The chosen incorporates basic interaction terms used in modeling various complex fluids which is composed mesoscopic particles dispersed solvent bath, studied include radial distribution function bulk inhomogeneous density profile due to influence several external fields. GCEMC results are employed test validity two recently proposed theoretical approaches field atomic fluids. One Ornstein-Zernike integral equation theory approach; other third order + second perturbation functional theory. Satisfactory agreement between pure theories fully indicates ready adaptability potentials fluids, classifies as convenient tools for investigation under single component macro-fluid approximation.
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sci-hub.se 参考文章(91)
Zhou Shi-Qi, Thermodynamic Properties of Hard-Sphere Fluid under Confined Condition Based on Bridge Density Function Chinese Physics Letters. ,vol. 20, pp. 2107- 2109 ,(2003) , 10.1088/0256-307X/20/12/006
Yaakov Rosenfeld, N. W. Ashcroft, Theory of simple classical fluids: Universality in the short-range structure Physical Review A. ,vol. 20, pp. 1208- 1235 ,(1979) , 10.1103/PHYSREVA.20.1208
Eivind Johannessen, Joachim Gross, Dick Bedeaux, Nonequilibrium thermodynamics of interfaces using classical density functional theory. Journal of Chemical Physics. ,vol. 129, pp. 184703- 184703 ,(2008) , 10.1063/1.3009182
Brian B. Laird, Ayla Kol, A PARTITIONED DENSITY FUNCTIONAL THEORY OF FREEZING : APPLICATION TO SOFT SPHERES Molecular Physics. ,vol. 90, pp. 951- 958 ,(1997) , 10.1080/00268979709482679
Shiqi Zhou, Phase behavior of density-dependent pair potentials. Journal of Chemical Physics. ,vol. 128, pp. 104511- 104511 ,(2008) , 10.1063/1.2888977
Mark Johnson, Sture Nordholm, Generalized van der Waals theory. VI. Application to adsorption Journal of Chemical Physics. ,vol. 75, pp. 1953- 1957 ,(1981) , 10.1063/1.442220
Shiqi Zhou, Thermodynamic perturbation theory in fluid statistical mechanics. Physical Review E. ,vol. 74, pp. 031119- ,(2006) , 10.1103/PHYSREVE.74.031119
Shiqi Zhou, Polymer density functional theory approach based on scaling second-order direct correlation function. Journal of Colloid and Interface Science. ,vol. 298, pp. 31- 38 ,(2006) , 10.1016/J.JCIS.2005.11.069
Shiqi Zhou, A new scheme for perturbation contribution in density functional theory and application to solvation force and critical fluctuations Journal of Chemical Physics. ,vol. 131, pp. 134702- 134702 ,(2009) , 10.1063/1.3242717
C. Ebner, W. F. Saam, D. Stroud, Density-functional theory of simple classical fluids. I. Surfaces Physical Review A. ,vol. 14, pp. 2264- 2273 ,(1976) , 10.1103/PHYSREVA.14.2264