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Computational investigation of the hydration of alkyl diammonium chlorides and their effect on THF/water phase separation

Author(s): Jahangiri S; Mercer SM; Jessop PG; Peslherbe GH;

The solvation behavior of alkyl diammonium chlorides of varying alkyl chain length and the molecular details of their effect on the salting-out of organic molecules in aqueous phase have been investigated by classical molecular dynamics simulations. More specifically, systems containing water, tetrahydrofuran (THF), and their mixtures with a,?-alkyl diamm ...

Article GUID: 23789929


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