Adsorption and Diffusion of Methane in Coal Slit Pores: Insights into the Molecular Level
Coal contains multi-scale pore structures, which determine the adsorption and diffusion of methane. To further reveal the effect of the pore structure from the molecular level, we construct the different slit pore models of coal and carry out a series of molecular simulations. The results show that...
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| Veröffentlicht in: | Energy & fuels 2022-01, Vol.36 (2), p.880-886 |
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| creator | Hao, Min Wei, Chengmin Zhang, Heng |
| description | Coal contains multi-scale pore structures, which determine the adsorption and diffusion of methane. To further reveal the effect of the pore structure from the molecular level, we construct the different slit pore models of coal and carry out a series of molecular simulations. The results show that the increase of slit pores increases the absolute adsorption capacity and isosteric heat of adsorption. The increased slit pores can promote the self-diffusion and transport diffusion of methane molecules. This research can provide a basis for the theory of the coal–methane interaction. |
| doi_str_mv | 10.1021/acs.energyfuels.1c03730 |
| format | Article |
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To further reveal the effect of the pore structure from the molecular level, we construct the different slit pore models of coal and carry out a series of molecular simulations. The results show that the increase of slit pores increases the absolute adsorption capacity and isosteric heat of adsorption. The increased slit pores can promote the self-diffusion and transport diffusion of methane molecules. This research can provide a basis for the theory of the coal–methane interaction.</abstract><pub>American Chemical Society</pub><doi>10.1021/acs.energyfuels.1c03730</doi><tpages>7</tpages><orcidid>https://orcid.org/0000-0002-1206-0428</orcidid></addata></record> |
| fulltext | fulltext |
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| ispartof | Energy & fuels, 2022-01, Vol.36 (2), p.880-886 |
| issn | 0887-0624 1520-5029 |
| language | eng |
| recordid | cdi_crossref_primary_10_1021_acs_energyfuels_1c03730 |
| source | ACS Publications |
| subjects | Fossil Fuels |
| title | Adsorption and Diffusion of Methane in Coal Slit Pores: Insights into the Molecular Level |
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