Density functional theory study on the structure and capillary phase transition of a polymer melt in a slitlike pore: Effect of attraction

Article Abstract:

A density functional theory is used to investigate the effects of polymer monomer-monomer and monomer-wall attractions on the density profile, chain configuration and equilibrium capillary phase transition of a freely jointed multi-Yukawa fluid confined in a slitlike pore. The equilibrium capillary phase transition of the polymeric fluid in the hard slitlike pore occurs at a higher chemical potential than in bulk condition, but as the attraction of the pore wall is increased, the chemical potential for equilibrium capillary phase transition becomes lower than that for bulk vapor-liquid equilibrium.

Vapor-liquid equilibrium, Vapour-liquid equilibrium

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Simple integral equation and density functional study of a hard sphere fluid in a pore formed by two hard walls

Article Abstract:

A fluid of hard sphere of diameter d between two parallel hard walls separated by the distance H was studied wherein H - d is the separation between the two planes of the closest approach of the hard sphere liquid. A previous study of the hard sphere fluid in a pore developed by two parallel hard walls and divided by distance H was conducted using the singlet theory of Lozada-Cassou with Percus-Yevick (PY) and a modified Verlet (MV) closure. It was discovered that the MV and singlet theory yielded comparatively accurate results while the PY2 theory needed a more intricate computation.

Research, Particles, Particulate matter, Surface chemistry, Fluids

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Phase transition of short linear molecules adsorbed on solid surfaces from a density functional approach

Article Abstract:

A microscopic density functional theory is used to investigate the adsorption of short chains on strongly attractive solid surfaces. It is found that for longer chains the layering transitions within consecutive layers are shifted toward very low temperatures and that their sequence is finally replaced by a single transition.

Poland, Solid state physics

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