期刊
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
卷 11, 期 1, 页码 5-13出版社
SPRINGER
DOI: 10.1007/s10450-005-1088-6
关键词
activated carbon; platelet model; Monte Carlo simulation; methane; ethane
We present Mont Carlo computer simulation results for a molecular model of fluids adsorbed in porous carbon materials. The model carbon used is based on the platelet model for carbon of Segarra and Glandt (1994). The model we use has a single basal plane per platelet and the structure is isotropic, disordered, with weak short-range correlations between the platelets. We have performed grand canonical Monte Carlo simulations of the adsorption isotherms for methane, ethane, and their mixtures in this model carbon. We find generally good agreement with experimental and the mixture results are quite accurately described by the ideal adsorbed solution theory. An exception to this is the behavior for the mixture at the highest pressures. In this case the experimental data show significant deviations from ideal adsorbed solution theory and the simulation results.
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