ADSORPTION AND DISPLACEMENT OF METHANE IN GRAPHENE-BASED MICROSTRUCTURES: INSIGHT FROM MOLECULAR SIMULATIONS

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Adsorption and displacement of methane in graphene-based microstructures insight from molecular simulations.pdf (145.67 KB)

Date

2022-08

Authors

Bekeshov, Dias
Ashimov, Sultan
Wang, Yanwei
Wang, Lei

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National Laboratory Astana

Abstract

Shale gas and coalbed methane are alternative energy sources that partly or even mainly consist of methane stored in an adsorbed state in pores of organic-rich rock and coal seams. This study employed a combination of Grand Canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) simulations to investigate the mechanisms of gas adsorption and displacement of methane in coal microstructures, which were modeled as slit pores with the slit walls modelled by graphene layers.

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Keywords

Type of access: Embargo, methane, Shale gas

Citation

Bekeshov, D. Ashimov, S. Wang, Y. Wang, L. (2022). Adsorption and displacement of methane in graphene-based microstructures: insight from molecular simulations. National Laboratory Astana

URI

http://nur.nu.edu.kz/handle/123456789/6666

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