Molecular simulation of gases competitive adsorption in lignite and analysis of original CO desorption

Abstract To study the adsorption characteristics of CO, CO2, N2, O2, and their binary-components in lignite coal, reveal the influence of CO2 or N2 injection and air leakage on the desorption of CO in goafs, a lignite model (C206H206N2O44) was established, and the supercell structure was optimized u...

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Auteurs principaux: Jing Zhang, Jiren Wang, Chunhua Zhang, Zongxiang Li, Jinchao Zhu, Bing Lu
Format: article
Langue:EN
Publié: Nature Portfolio 2021
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Accès en ligne:https://doaj.org/article/664cf7435cad473fb0a2c25ea2dda68f
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