Microscopic mechanism of methane adsorption in shale: Experimental data analysis and interaction potential simulation

Abstract The adsorbed methane in shale determines the geological reserves of shale gas and production of the well. Therefore, it is of great importance to clarify the microscopic mechanism of methane adsorption in shale for evaluating the geological condition and formulating exploitation plan. In this study, the experimental data and the simulation result were combined to research the microscopic mechanism of methane adsorption in shale. The experimental data for 99 groups of low-temperature nitrogen adsorption and methane isothermal adsorption were collected, to calculate the number of adsorption layers of methane in shale at the micro-level. The surface, microfracture and micropore structures of the organic matter in shale were constructed by graphite structure with the hydroxyl group. Thereafter, they were used to simulate the interaction potential of the organic matter on methane molecules and the adsorption layer's number by using the theory of intermolecular interaction potential field. Furthermore, the effects of different fracture widths and pore diameters on methane adsorption were analyzed and verified. The results show that the adsorption capacity of methane in shale is related to shale's structure, and the order of the adsorption capacity is surface