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المؤلفAparicio, S.
المؤلفAtilhan, M.
تاريخ الإتاحة2015-11-05T10:20:57Z
تاريخ النشر2012
اسم المنشورChemPhysChem
المصدرWiley Online library
الاقتباسAparicio, S. and Atilhan, M. (2012), Insights into Tris-(2-Hydroxylethyl)methylammonium Methylsulfate Aqueous Solutions. ChemPhysChem, 13: 3340–3349.
الرقم المعياري الدولي للكتاب1439-7641
معرّف المصادر الموحدhttp://dx.doi.org/10.1002/cphc.201200141
معرّف المصادر الموحدhttp://hdl.handle.net/10576/3709
الملخصWe report herein a combined experimental–computational study on tris-(2-hydroxylethyl)methylammonium methylsulfate in water solutions, as a representative ionic liquid of the aqueous-solution behavior of hydroxylammonium-based ionic liquids. Relevant thermophysical properties were measured as a function of mixture composition and temperature. Classical molecular dynamics simulations were performed to infer microscopic structural features. The reported results for ionic liquid in water-rich solutions show that it behaves as isolated non-interacting ions solvated by water molecules, through well-defined solvation shells, exerting a disrupting effect on the water hydrogen bonding network. Nevertheless, as ionic liquid concentration increase, interionic association increases, even for diluted water solutions, evolving from the typical behavior of strong electrolytes in solution toward large interacting structures. For ionic-liquid-rich mixtures, water exerts a minor disrupting effect on the fluid’s structuring because it occupies regions around each ion (developing water–ion hydrogen bonds) but without significantly weakening anion–cation interactions.
راعي المشروع* Ministerio de Ciencia e Innovación. Grant Number: CTQ2010-15871 * NPRP. Grant Number: NPRP-09-739-2-284
اللغةen
الناشرWILEY-VCH Verlag
الموضوعintermolecular forces
ionic liquids
molecular dynamics
thermodynamics
water chemistry
العنوانInsights into Tris-(2-Hydroxylethyl)methylammonium Methylsulfate Aqueous Solutions
النوعArticle
رقم العدد14
رقم المجلد13
dc.accessType Abstract Only


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