Monte Carlo Simulation Study of Entrainer Effect on Distribution Equilibrium between Supercritical Fluids and Slitpores

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN

Tomoshige Nitta¹  Takeshiro Shigeta¹ 

[1] Department of Chemical Science and Engineering, Graduate School of Engineering Science, Osaka University

关键词: Simulation;    Monte Carlo;    Distribution Equilibria;    Entrainer Effect;    Supercritical Fluid;   

DOI  :  10.1252/jcej.32.150

来源: Maruzen Company Ltd

【 摘 要 】

References(5)The distribution coefficients of naphthalene between slitpores and supercritical carbon dioxide at infinite dilution are calculated by the Monte Carlo simulation method in the range of entrainer (benzene) concentration from 0 to 2%. The addition of a small amount of benzene decreases the distribution coefficient dramatically. It is found that added benzene molecules prefer to adsorb onto the wall surface in the pore phase, which increases the pore density and excludes naphthalene molecules.

【 授权许可】

Unknown