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

To study the adsorption characteristics of CO, CO(2), N(2), O(2), and their binary-components in lignite coal, reveal the influence of CO(2) or N(2) injection and air leakage on the desorption of CO in goafs, a lignite model (C(206)H(206)N(2)O(44)) was established, and the supercell structure was op...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Zhang, Jing, Wang, Jiren, Zhang, Chunhua, Li, Zongxiang, Zhu, Jinchao, Lu, Bing
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8175335/
https://ncbi.nlm.nih.gov/pubmed/34083650
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-021-91197-0
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