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Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3429-2
Abstract: AbstractTo explore the adsorption mechanism of NO, NH3, N2 on a carbon surface, and the effect of basic and acidic functional groups, density functional theory was employed to investigate the interactions between these molecules and…
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Keywords:
adsorption;
nh3 carbon;
carbon surface;
carbon ... See more keywords
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Published in 2021 at "Nanomaterials"
DOI: 10.3390/nano11102612
Abstract: This study proposes the use of new working fluids, refrigerant/IL+ carbon nanomaterials (CNMs), in absorption systems as an alternative to conventional working fluids. In this regard, the thermophysical properties of ammonia and carbon nanomaterials (graphene…
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Keywords:
nanomaterial solutions;
nh3 carbon;
carbon;
properties nh3 ... See more keywords