GRAND-CANONICAL MONTE-CARLO SIMULATIONS OF A STOCKMAYER FLUID IN A SLIT MICROPORE

The structure of a Stockmayer fluid confined to a slit-pore, that is between two parallel f.c.c. (100) planes of rigidly fixed Lennard-Jones (12, 6) atoms (walls), is studied by means of the grand-canonical ensemble Monte Carlo method. The pore fluid is in equilibrium with its bulk phase counterpart, which is liquid. The local density and the cylindrical pair-correlation function in planes parallel to the walls, indicate that the structure of the pore fluid depends strongly on the distance h separating the walls and on their lateral alignment (registry). The pore phase may be liquid, solid or gaseous depending on the registry, h, and the strength Absolute value of mu of the dipole moment. The additional degree of freedom provided by Absolute value of mu of the Stockmayer fluid strongly influences the structure of the pore fluid. As Absolute value of mu increases, the degree of order of the pore fluid decreases.