Lithologic Reservoirs ›› 2016, Vol. 28 ›› Issue (6): 88-94.doi: 10.3969/j.issn.1673-8926.2016.06.012

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Molecular simulation of shale gas adsorption in graphite slit-pores

He Yingjie 1,2, Yang Yang 1,2, Zhang Tingshan 1,2, Wu Kunyu 1,3   

  1. (1. State Key Laboratory of Oil & Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Chengdu 610500, China;2. School of Resources and Environment, Southwest Petroleum University, Chengdu 610500, China; 3. Research Institute of Exploration and Development, PetroChina Qinghai Oilfield Company, Dunhuang 736202, Gansu, China)
  • Received:2016-06-13 Revised:2016-07-28 Online:2016-11-10 Published:2016-11-10

Abstract: In order to understand the methane adsorption mechanism in organic matter pores in shale, graphite slit-pores were established to characterize the organic matter pores by using molecular simulation software, the grand canonical Monte Carlo method, molecular mechanics and molecular dynamics were used to simulate methane adsorption in graphite slit-pores at the common shale burial depth of 2-4 km in Yangtze Plate. The results show that the adsorption was physical. With the increasing of temperature and pressure, the adsorption capacity in graphite slit-pores increased dramatically first, then increased slowly, and decreased at last, and the maximum adsorption capacity appeared at the buried depth of 2-4 km (4 km is the best buried depth for shale gas). The relative density of methane along the normal direction of the graphite slit-pore wall shows a trend of symmetric distribution, which reflects apparent adsorption stratification, and it reduced with the increase of buried depth. The self-diffusion coefficient of methane increased with the increase of buried depth, which is consistent with the changes of adsorption heat and adsorption capacity.

Key words: rock, permeability, gas, slippage effect, Klinkenberg effect, Knudsen number

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