Natural Gas Geoscience

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Molecular simulation of methane adsorption within illite minerals in the shale of the Longmaxi Formation based on a grand canonical Monte Carlo method and pore size distribution

Tang Xin,Zhu Yan-ming,Guo Yuan-chen,Liu Yu,Zhou Xiao-yi   

  1. 1.School of Civil Engineering,Chongqing Three Gorges University,Chongqing 404100,China; 2.School of Resources and Earth Science,China University of Mining and Technology,Xuzhou 221006,China
  • Received:2018-04-18 Revised:2018-10-12 Online:2018-12-10

Abstract: To investigate the pore structure and adsorption capacity of illite with respect to methane in the Longmaxi Formation,isothermal adsorption experiments utilizing mercury intrusion,liquid nitrogen and low-temperature carbon dioxide techniques were applied to shale samples from Sichuan Basin.The adsorption characteristics of illite slit pores with different diameters were simulated using the Monte Carlo method.The results demonstrate that the pore volume and specific surface area of the shale are primarily supplied by pore diameters of less than 2nm.Illite is one of the primary components of the clay mineralogy within the shale and forms parallel or nearly-parallel plate pores.For pore sizes ranging from 0.5nm to 0.9nm (at 303.15K and 8MPa),the methane molecules are affected by van der Waals and electrostatic forces,and the excess adsorption capacity of methane is big.When the pore size is bigger than 0.9nm,the methane adsorption is primarily affected by van der Waals forces,and the excessadsorption capacity of methane initially decreases,after which it remains unchanged with anincrease in the pore size.The free gas content increases with increasing pore diameters.The average equivalent adsorption heat reflects that the adsorption of methane onto illite is characterized by physical adsorption.During the adsorption process,when the pore size is between 0.5nm and 1.2nm,the average equivalent adsorption heat decreases rapidly with an increase of the pore diameter.When the pore size exceeds 1.2nm,the adsorption intensity between the methane molecules and the illite slit is essentially stable,and the average adsorption heat is 6.72kJ/mol.When the pore size is between 0.5nm and 0.8nm,the monolayer of methane is adsorbed onto the pore wall,and the local density of methane exhibits the characteristics of a single peak.When the pore size is between 0.8nm and 1.2nm,the adsorption mode changes from single-layer adsorption to double-layer adsorption,and the local density curve changes from unimodal to bimodal.When the pore size is bigger than 1.2nm,the free volume of methane adsorption can be big,and the local density curve is bimodal.

Key words: Illite minerals, Monte Carlo method, Illitead sorption simulation, Slit pore structure

CLC Number: 

  • TE135
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