Surajudeen Sikiru1,*, Hassan Soleimani2, Amir Rostami1, Mohammed Falalu Hamza1,3, Lukmon Owolabi Afolabi4
FDMP-Fluid Dynamics & Materials Processing, Vol.20, No.1, pp. 31-44, 2024, DOI:10.32604/fdmp.2023.029281
Abstract Determining the adsorption of shale gas on complex surfaces remains a challenge in molecular simulation studies.
Difficulties essentially stem from the need to create a realistic shale structure model in terms of mineral heterogeneity and multiplicity. Moreover, precise characterization of the competitive adsorption of hydrogen and
methane in shale generally requires the experimental determination of the related adsorptive capacity. In this
study, the adsorption of adsorbates, methane (CH4), and hydrogen (H2) on heterogeneous shale surface models
of Kaolinite, Orthoclase, Muscovite, Mica, C60, and Butane has been simulated in the frame of a molecular
dynamic’s numerical technique. The More >