Adsorption and phase transitions in a two-site associating Lennard-Jones fluid confined to energetically heterogeneous slit-like pores; application of the density functional method

摘要

A density functional approach is used to study adsorption and phase behaviour of the two-bonding-site associating Lennard-Jones (LJ) fluid in slit-like pores with energetically heterogeneous walls. Phase behaviour of strongly and weakly associating, polymerizing fluid in the pores with a periodic surface potential, characterized by different strengths and the spacings between adjacent minima, as well as different pore widths is discussed. A comparison of the results obtained for strongly and weakly associating fluids elucidates the role of bonding between fluid species in the pore-filling mechanism. An interplay between layering transitions, the formation of an intermediate 'bridge' phase and the final capillary condensation in the pores with energetically corrugated walls is discussed in detail. [References: 18]