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 b etween two parallel f.c.c. (100) planes of rigidly fixed Lennard-Jones (12, 6) atoms (walls), is studied by means of the grand-canonical ens emble Monte Carlo method. The pore fluid is in equilibrium with its bu lk phase counterpart, which is liquid. The local density and the cylin drical pair-correlation function in planes parallel to the walls, indi cate that the structure of the pore fluid depends strongly on the dist ance h separating the walls and on their lateral alignment (registry). The pore phase may be liquid, solid or gaseous depending on the regis try, h, and the strength Absolute value of mu of the dipole moment. Th e 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 fl uid decreases.