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Published in 2021 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2021.113164
Abstract: Abstract Density functional theory (DFT) calculations and molecular simulation methods were combined to investigate the adsorption behaviors of two kinds of MOF materials: ZIFs and UiO-66-R. The factors affecting the adsorption performance were analyzed and…
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Keywords:
hexane isomers;
adsorption separation;
separation hexane;
adsorption ... See more keywords
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Published in 2021 at "Separation and Purification Technology"
DOI: 10.1016/j.seppur.2021.118646
Abstract: Abstract The separation of hexane isomers into their individual components, especially the mono- and di-branched isomers, is one of the most important while challenging industrial processes for the production of high-octane gasoline. In this work,…
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Keywords:
hexane;
hexane isomers;
separation;
separation hexane ... See more keywords