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Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2020.114497
Abstract: Abstract The influence of four sodium salts (NaCl, NaBr, Na2SO4, and Na3PO4) on the self-aggregation, interfacial, and thermodynamic properties of a surface active ionic liquid (1-hexadecyl-3-methylimidazolium chloride, C16MImCl) has been explored in aqueous solutions by…
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Keywords:
thermodynamic properties;
interfacial thermodynamic;
self aggregation;
surface active ... See more keywords
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Published in 2021 at "Scripta Materialia"
DOI: 10.1016/j.scriptamat.2021.114009
Abstract: Abstract We recently proposed a new, low-energy atomic structure of the Al2CuLi (T1) phase using first-principles calculations based on density functional theory [Acta Mater. 145 (2018) 337-346]. Here, we refine the Li positions in the…
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Keywords:
principles calculations;
interfacial thermodynamic;
first principles;
bulk interfacial ... See more keywords