Integral equation theory for fluids ordered by an external field: separable interactions.

作者: Aurélien Perera

DOI: 10.1103/PHYSREVE.60.2912

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摘要: The structural and thermodynamical properties of classical fluids orientationally ordered by an external field are investigated means integral equation theories. A general theoretical framework for handling these theories is developed detailed the particular case separable interactions between fluid particles. This approach then illustrated two (off lattice) models: ferromagnetic Heisenberg model a simple liquid crystal model, which numerical solution equations such as Percus-Yevick, hypernetted chain, reference chain closure presented compared with Monte Carlo simulation results analytical mean spherical approximation. zero-field also examined, spontaneous ordering analyzed in detail, mainly what concerns appearance infinite wavelength singularity Ornstein-Zernike relation one-body long range orientational that occurs. In particular, it shown Wertheim appears sum rule compatible equation. elastic constant tail pair correlation function made explicit. behavior various terms expansion depicted. investigation models shows not possible to discriminate four equations, one would be most accurate all cases. trends seem indicate Percus-Yevick approximation generally better strong case, whereas might suited study isotropic phase low regimes.

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