Computer simulations of dependence of adsorption characteristics of ethane on the size of graphite micropores

摘要: Thermodynamic properties, local density profiles, orientational distribution functions, as well coefficients of translational and rotational diffusion liquid ethane in slit micropores graphite with a width 9.5 to 38 {angstrom} were considered by compute simulation methods (Monte Carlo molecular dynamics) at 200, 250, 300 K. It was shown that all the properties change nonmonotonically increase pore up 21 {angstrom}. In interval orientations molecules adsorbed layers nearest walls depend strongly on width.