Molecular simulation of efficient removal of H2S pollutant by cyclodextrine functionalized CNTs

Abstract DFT-D3 calculations were carried out to investigate interaction of H2S and CH4 between numerous functionalized CNTs (f-CNTs), including hydroxyl, carboxyl, and cyclodextrin groups as potential candidates for selective adsorption and elimination of toxic pollutants. It was found that pristin...

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Autores principales: Masoud Darvish Ganji, Hadis Kiyani
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/bc44b550808f454e84793743b48c3eef
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