Cylindrical pore grand canonical Monte Carlo

Pantatosaki E, Psomadopoulos D, Steriotis T, Stubos AK, Papaioannou A, and Papadopoulos GK. Micropore size distributions from C02 using grand canonical Monte Carlo at ambient temperatures Cylindrical versus slit pore geometries. Colloids Surf. A Physicochem. Eng. Aspects, 2004 241(1-3) 127-135. 

The principal tools have been density functional theory and computer simulation, especially grand canonical Monte Carlo and molecular dynamics [17-19]. Typical phase diagrams for a simple Lennard-Jones fluid and for a binary mixture of Lennard-Jones fluids confined within cylindrical pores of various diameters are shown in Figs. 9 and 10, respectively. Also shown in Fig. 10 is the vapor-liquid phase diagram for the bulk fluid (i.e., a pore of infinite radius). In these examples, the walls are inert and exert only weak forces on the molecules, which themselves interact weakly. Nevertheless,... 

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