摘要The excess Helmholtz free energy functional for associating Lennard-Jones (LJ) fluid is formulated in terms of a weighted density approximation for short-ranged interactions and a Weeks--Chandler--Andersen approximation for long-range attraction. Within the framework of density functional theory, phase equilibria, vapour--liquid surface tension and vapour--liquid nucleation properties including the density profile, work of formation, excess number of particles and critical supersaturation are investigated for associating LJ fluids with different numbers of association sites (M =1, 2, 3, 4) per particle. The influences of association energy and association sites on phase equilibria, surface tension and vapour-liquid nucleation properties are discussed.
Abstract：The excess Helmholtz free energy functional for associating Lennard-Jones (LJ) fluid is formulated in terms of a weighted density approximation for short-ranged interactions and a Weeks--Chandler--Andersen approximation for long-range attraction. Within the framework of density functional theory, phase equilibria, vapour--liquid surface tension and vapour--liquid nucleation properties including the density profile, work of formation, excess number of particles and critical supersaturation are investigated for associating LJ fluids with different numbers of association sites (M =1, 2, 3, 4) per particle. The influences of association energy and association sites on phase equilibria, surface tension and vapour-liquid nucleation properties are discussed.
FU Dong;LIAO Tao. Vapour-to-Liquid Nucleation in Associating Lennard-Jones Fluids with Multiple Association Sites[J]. 中国物理快报, 2007, 24(10): 2804-2807.
FU Dong, LIAO Tao. Vapour-to-Liquid Nucleation in Associating Lennard-Jones Fluids with Multiple Association Sites. Chin. Phys. Lett., 2007, 24(10): 2804-2807.
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2007, Vol. 24 
