Role of site–site interaction on the phase equilibria of multiple-site associating fluids in a functionalized slit pore
Sashanka Sekhar Mandal,
Sudhir Kumar Singh,
Sandip Khan
Abstract:Vapor-liquid phase equilibria for multiple sites associating fluids with different associating strengths are investigated in a slit pore using Grand-Canonical Transition Matrix Monte Carlo (GC-TMMC) method. The increase of critical temperature from two-site to four-site associating fluids at constant site strength is quite significant as compared to that of the one-site to two-site associating fluids, which is more pronounced at higher associating strength (ε*=6). Monomer fraction and cluster size distribution… Show more
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