Adsorption and separation of carbon dioxide and methane in new zeolites using the Grand Canonical Monte Carlo method |
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| Authors: | Xiao-zhong Chu Song-song Liu Shou-yong Zhou Yi-jiang Zhao Wei-hong Xing |
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| Affiliation: | 1.Jiangsu Key Laboratory for Biomass-based Energy and Enzyme Technology, Jiangsu Key Laboratory for Chemistry of Low-Dimensional Materials,Huaiyin Normal University,Huaian,People’s Republic of China;2.Jiangsu Collaborative Innovation Center of Regional Modern Agriculture & Environmental Protection,Huaiyin Normal University,Huaian,People’s Republic of China;3.State Key Laboratory of Materials-Oriented Chemical Engineering,Nanjing Tech University,Nanjing,People’s Republic of China;4.Huaian Key Laboratory of Advanced Environment Functional Materials, College of Chemistry and Chemical Engineering,Huaiyin Normal University,Huai’an,People’s Republic of China |
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| Abstract: | The adsorption and separation behaviors of CO2 and CH4 in new siliceous zeolites (IFO, JSR, OKO, SEW) were simulated using the Grand Canonical Monte Carlo method in the paper. The adsorption isotherms for pure components and binary mixtures of CO2 and CH4 in four siliceous zeolites were obtained. The adsorption thermodynamic properties including Gibb’s free energy change, enthalpy change and entropy change were investigated. The results demonstrate that the adsorbed amount of pure components increases with an increase in pressure, and larger pore volume and surface area are beneficial to improve the adsorption capacity. The adsorption amount of CO2 and CH4 in the JSR zeolite is 7.08 and 2.27 mmol g?1 at 1000 kPa, respectively. In view of the thermodynamic results, the new siliceous zeolites show a higher affinity for CO2. The adsorption capacities of CO2 in all zeolites were five times more than those of CH4 in binary mixtures based on the ratios of equilibrium adsorption capacity. Considering the adsorption uptake and selectivity for CO2/CH4, the JSR zeolite is a good candidate for the separation of CO2/CH4 at low pressure. |
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