Freezing/melting phenomena for Lennard-Jones methane in slit pores: A Monte Carlo study

Miyahara, Minoru; Gubbins, Keith E.
February 1997
Journal of Chemical Physics;2/15/1997, Vol. 106 Issue 7, p2865
Academic Journal
Reports on Monte Carlo simulations for a Lennard-Jones fluid modeled on methane in slit-shaped pores for several materials and pore widths. Types of pore walls considered; Changes observed in individual adsorbate layers; Shift in freezing or melting temperature from that of the bulk adsorbate material; Changes in the overall properties of the adsorbate phase.


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