Perturbation Theory versus Thermodynamic Integration. Beyond a Mean-Field Treatment of Pair Correlations in a Nematic Model Liquid Crystal.
作者： Martin Schoen , Andrew J. Haslam , George Jackson
DOI: 10.1021/ACS.LANGMUIR.7B01849
关键词: Monte Carlo method 、 Isotropy 、 Perturbation theory 、 Intermolecular force 、 Mean field theory 、 Density functional theory 、 Liquid crystal 、 Chemistry 、 Thermodynamic integration 、 Statistical physics
摘要: The phase behavior and structure of a simple square-well bulk fluid with anisotropic interactions is described in detail. The orientation dependence of the intermolecular …
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S. Chandrasekhar, Liquid Crystals: Index ,(1992) , 10.1017/CBO9780511622496
C.H. Twu, K.E. Gubbins, Thermodynamics of polyatomic fluid mixtures—II Chemical Engineering Science. ,vol. 33, pp. 879- 887 ,(1978) , 10.1016/0009-2509(78)85177-X
Thijs van Westen, Bernardo Oyarzún, Thijs J. H. Vlugt, Joachim Gross, An analytical equation of state for describing isotropic-nematic phase equilibria of Lennard-Jones chain fluids with variable degree of molecular flexibility Journal of Chemical Physics. ,vol. 142, pp. 244903- ,(2015) , 10.1063/1.4922921
Robert W. Zwanzig, High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases The Journal of Chemical Physics. ,vol. 22, pp. 1420- 1426 ,(1954) , 10.1063/1.1740409
John D. Weeks, David Chandler, Hans C. Andersen, Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids The Journal of Chemical Physics. ,vol. 54, pp. 5237- 5247 ,(1971) , 10.1063/1.1674820
W. Maier, A. Saupe, Eine einfache molekulare Theorie des nematischen kristallinflüssigen Zustandes Zeitschrift für Naturforschung A. ,vol. 13, pp. 564- 566 ,(1958) , 10.1515/ZNA-1958-0716
Molecular association in liquids. III. A theory of cohesion of polar liquids Proceedings of The Royal Society A: Mathematical, Physical and Engineering Sciences. ,vol. 215, pp. 67- 83 ,(1952) , 10.1098/RSPA.1952.0197
Shri Singh, Phase transitions in liquid crystals Physics Reports. ,vol. 324, pp. 107- 269 ,(2000) , 10.1016/S0370-1573(99)00049-6
John G. Kirkwood, Statistical Mechanics of Fluid Mixtures The Journal of Chemical Physics. ,vol. 3, pp. 300- 313 ,(1935) , 10.1063/1.1749657
William M. Gelbart, Abe Gelbart, Effective one-body potentials for orientationally anisotropic fluids Molecular Physics. ,vol. 33, pp. 1387- 1398 ,(1977) , 10.1080/00268977700101151