Microscopic characterization of mixtures of amino acid ionic liquids and organic solvents
作者： Cesar Herrera , Rafael Alcalde , Mert Atilhan , Santiago Aparicio
DOI: 10.1016/J.MOLLIQ.2017.11.131
关键词: Work (thermodynamics) 、 Ion 、 Inorganic chemistry 、 Characterization (materials science) 、 Chemistry 、 Hydrogen bond 、 Intermolecular force 、 Amino acid 、 Ionic liquid 、 Molecular dynamics 、 Physical and Theoretical Chemistry 、 Spectroscopy 、 Materials Chemistry 、 Atomic and Molecular Physics, and Optics 、 Electronic, Optical and Magnetic Materials 、 Condensed matter physics
摘要: Abstract The properties of amino acid – based ionic liquids mixed with a set eight different protic and aprotic are studied using molecular dynamics simulations. Intermolecular forces, dynamic properties, clustering additional microscopic features in the full composition range as function type liquid considered organic solvent. intermolecular anion-cation solvent hydrogen bonding, especially for solvents, is also analysed this work. changes ion-ion self-aggregation competing effect ion interactions terms fluids structure. reported results show that self aggregation through bonding maintained even highly diluted solutions liquid, thus, these can be tuned selection suitable solvents.
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