Salting-Out of Methane in the Aqueous Solutions of Urea and Glycine–Betaine

We have studied the hydrophobic association and solvation of methane molecules in aqueous solutions of urea and glycine betaine (GB). We have calculated the potentials of mean force (PMFs) between methane molecules in water, aqueous GB, aqueous urea and aqueous urea–GB mixtures. The PMFs and equilib...

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Veröffentlicht in:	The journal of physical chemistry. B 2015-08, Vol.119 (34), p.10941-10953
Hauptverfasser:	Dixit, Mayank Kumar, Siddique, Asrar A, Tembe, B. L
Format:	Artikel
Sprache:	eng
Schlagworte:	Aqueous solutions Betaine - chemistry Coordination numbers Entropy Free energy Glycine - chemistry Hydrogen Bonding Hydrophobic and Hydrophilic Interactions Mathematical analysis Methane Methane - chemistry Methane - isolation & purification Molecular Dynamics Simulation Sodium Chloride - chemistry Solvation Solvents Urea - chemistry Ureas Water - chemistry
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