Hard dumbbells in contact with a hard wall: An application of the density functional theory

Sokol\owski, S.
November 1991
Journal of Chemical Physics;11/15/1991, Vol. 95 Issue 10, p7513
Academic Journal
A modified version of the density functional theory recently used by Poniewierski and Ho\yst [Phys. Rev. A 41, 6871 (1990)] for studies of liquid crystals is applied to investigate orientational ordering of hard dumbbells in contact with a hard wall and between two hard walls. A comparison with the results of grand ensemble Monte Carlo simulations indicates that the considered approach may be used with advantage in the study of the structure of hard dumbbells adjacent to a wall.


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