Molecular Dynamic Insights into the Distinct Solvation Structures of Aromatic and Aliphatic Compounds in Monoethanolamine-Based Deep Eutectic Solvents

Deep eutectic solvents (DESs) are developing as an alternate medium for aromatic extraction, especially benzene and thiophene from aliphatic hydrocarbon mixtures. In this work, molecular dynamics (MD) simulations were first used to investigate the solvation structure of benzene, thiophene, and n-hex...

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Veröffentlicht in:	The journal of physical chemistry. B 2022-07, Vol.126 (26), p.4925-4938
Hauptverfasser:	Kumar, Nikhil, Naik, Papu Kumar, Banerjee, Tamal
Format:	Artikel
Sprache:	eng
Schlagworte:	B: Liquids Chemical and Dynamical Processes in Solution
Online-Zugang:	Volltext
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