Molecular simulation of efficient removal of H2S pollutant by cyclodextrine functionalized CNTs
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DOI: 10.1038/s41598-019-46816-2
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… read more here.
Keywords: adsorption; simulation efficient; functionalized cnts; molecular simulation ... See more keywords