期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 110, 期 45, 页码 22742-22753出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp064918+
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The thermodynamic properties and siting of carbon dioxide and methane sorbed in the siliceous form of zeolite MCM-22, ITQ-1, were studied by means of grand canonical Monte Carlo simulation. ITQ-1 comprises two independent pore systems of different geometry. It was found to be CO2-selective toward CO2/CH4 gas mixtures, its equilibrium selectivity being distinctly higher in its sinusoidal channel pore system than in the large cavity system over a wide range of pressures starting from the Henry law regime, at the three temperatures considered. A maximum in selectivity is observed at low temperature, high pressure, and methane-rich gas-phase composition.
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