Adsorption of methane in quartz by Grand Canonical Monte Carlo simulation

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  • State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation,Southwest Petroleum University,Chengdu 610500,China

Received date: 2015-10-15

  Revised date: 2016-04-17

  Online published: 2019-09-19

Abstract

The adsorption behaviors of methane in quartz have been investigated by using Grand Canonical Monte Carlo simulations,and the influences of different pore sizes,different temperatures,different water contents and different compositions of the methane adsorption on quartz have been discussed.The results show that the excess adsorption of methane increased firstly and then decreased with the increase of the pressure,and increased with the decrease of the pore size.The interaction energy between methane and quartz decreased with the increase of pressure or the decrease of pore size,indicating that the adsorption sites of methane adsorption on the quartz transferred from the higher energy to the lower energy.With the increase of temperature,the isosteric heats of the methane decreased and the adsorption sites of methane adsorption on the quartz transferred from higher energy to lower energy,resulting in the decrease of methane adsorption capacity.The water molecular in the pore of quartz occupied the pore wall in directional way,which was acted upon by the van der Waals force and Coulomb force,resulting in the molecular water accumulation in the pores.With the increase of temperature,the adsorption sites of methane did not change,indicating that the molecular water only occupy adsorption space of the methane,resulting in the decrease of methane adsorption capacity.The interaction energy between gas and quartz decreased in the following order:nitrogen >methane >carbon dioxide,indicating that the adsorption capacity decreased in the following order:carbon dioxide >methane > nitrogen.The mole fraction of nitrogen or carbon dioxide in the gas phase increased,the mole fraction of gaseous methane would decrease,the adsorption sites of methane would change and the adsorption space of methane would deduce,resulting in the decrease of methane adsorption capacity.

Cite this article

Xiong Jian, Liu Xiang-jun, Liang Li-xi . Adsorption of methane in quartz by Grand Canonical Monte Carlo simulation[J]. Natural Gas Geoscience, 2016 , 27(8) : 1532 -1540 . DOI: 10.11764/j.issn.1672-1926.2016.08.1532

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