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We report a Grand Canonical Monte Carlo study of the freezing/melting of Lennard-Jones A/B mixtures confined in a slit pore (H = 1.44 nm). The fluid/fluid interactions are chosen to model A = Ar and B = Kr. Fluid/wall interaction parameters are chosen so that the ratio of the wall/fluid to the fluid/fluid interactions for Kr and Ar is larger and smaller than 1, respectively. We find that the phase...
An analogy between vapor adsorbed equilibrium and vapor liquid equilibrium is made to determine the condition where azeotropes are observed, using a relationship between infinite dilution activity coefficients and pure component pressures in the reference state. The range of conditions where azeotropic behavior is expected in vapor-adsorbed equilibrium (VAE) was determined for the multisite Langmuir...
The equilibrium distribution and the concentration dependence of the local and average self-diffusion coefficients for pure fluid and binary mixture components in narrow slitlike pores were analyzed. The coefficients were calculated using the lattice gas model in the quasi-chemical approximation on the assumption of a spherical shape and approximately equal sizes of the components. For the pure adsorbate,...
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