Petroleum Science >2017,??Issue 1:??37-49 DOI: https://doi.org/10.1007/s12182-016-0142-1
Investigation of methane adsorption on chlorite by grand canonical Monte Carlo simulations Open?Access
文章信息
作者：Jian Xiong,Xiang-Jun Liu,Li-Xi Liang and Qun Zeng
作者單位：
State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Chengdu 610500, Sichuan, China;State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Chengdu 610500, Sichuan, China;State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Chengdu 610500, Sichuan, China;Institute of Chemical Materials, Engineering Physical Academy of China, Mianyang 621999, Sichuan, China
投稿時間：2016-04-08
引用方式：Xiong, J., Liu, XJ., Liang, LX. et al. Pet. Sci. (2017) 14: 37. https://doi.org/10.1007/s12182-016-0142-1
文章摘要
In this paper, the methane adsorption behaviours in slit-like chlorite nanopores were investigated using the grand canonical Monte Carlo simulation method, and the influences of the pore sizes, temperatures, water, and compositions on methane adsorption on chlorite were discussed. Our investigation revealed that the isosteric heat of adsorption of methane in slit-like chlorite nanopores decreased with an increase in pore size and was less than 42 kJ/mol, suggesting that methane adsorbed on chlorite through physical adsorption. The methane excess adsorption capacity increased with the increase in the pore size in micropores and decreased with the increase in the pore size in mesopores. The methane excess adsorption capacity in chlorite pores increased with an increase in pressure or decrease in pore size. With an increase in temperature, the isosteric heats of adsorption of methane decreased and the methane adsorption sites on chlorite changed from lowerenergy adsorption sites to higher-energy sites, leading to the reduction in the methane excess adsorption capacity. Water molecules in chlorite pores occupied the pore wall in a directional manner, which may be related to the van der Waals and Coulomb force interactions and the hydrogen bonding interaction. It was also found that water molecules existed as aggregates. With increasing water content, the water molecules occupied the adsorption sites and adsorption space of the methane, leading to a reduction in the methane excess adsorption capacity. The excess adsorption capacity of gas on chlorite decreased in the following order: carbon dioxide > methane > nitrogen. If the mole fraction of nitrogen or carbon dioxide in the binary gas mixture increased, the mole fraction of methane decreased, methane adsorption sites changed, and methane adsorption space was reduced, resulting in the decrease in the methane excess adsorption capacity.
關鍵詞
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Chlorite · Methane · Nanopores · Grand canonical Monte Carlo · Adsorption capacity