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First-Principles Calculation of Adsorption of Shale Gas on CaCO(3) (100) Surfaces

BACKGROUND: To demonstrate the adsorption strength of shale gas to calcium carbonate in shale matrix, the adsorption of shale gas on CaCO(3) (100) surfaces was studied using the first-principles method, which is based on the density functional theory (DFT). METHODS: The structures and electronic pro...

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Detalles Bibliográficos
Autores principales:	Luo, Qiang, Pan, Yikun, Guo, Ping, Wang, Zhouhua, Wei, Na, Sun, Pengfei, Liu, Yuxiao
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	SAGE Publications 2017
Materias:	Original Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6469267/ https://www.ncbi.nlm.nih.gov/pubmed/28574100 http://dx.doi.org/10.5301/jabfm.5000352

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