Influence of surface chemical heterogeneities on adsorption/desorption hysteresis and coexistence diagram of metastable states within cylindrical pores.

Abstract

Grand canonical Monte Carlo simulations are performed to determine the adsorption/desorption isotherms at different temperatures of a Lennard-Jones fluid confined within a simple model of cylindrical pores presenting chemical heterogeneities. A complex hysteresis loop is observed, showing hysteresis subloops (scanning curves). This is shown to be consistent… (More)

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