Electromagnetic field effects on binary dimethylimidazolium-based ionic liquid/water solutions

被引:19
作者
English, Niall J. [1 ]
Mooney, Damian A.
机构
[1] Univ Coll Dublin, SEC Strateg Res Cluster, Dublin 4, Ireland
关键词
MOLECULAR-DYNAMICS SIMULATIONS; ZEOLITE-GUEST SYSTEMS; FORCE-FIELD; LIQUIDS; WATER; POTENTIALS; SOLVENTS;
D O I
10.1039/b910462c
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The non-thermal effects of electromagnetic fields in the microwave to far-infrared frequency on neat dimethylimidazolium chloride and triflate salts and their binary mixtures with water have been investigated by means of non-equilibrium molecular dynamics simulation. Significant alterations in dipole alignment and molecular mobility were found vis-a-vis zero-field conditions for mixtures of varying composition. Results indicate that the dimethylimidazolium and triflate ions respond most significantly to frequencies much lower than that of water in terms of dipole alignment and molecular mobility, and this was rationalized. in terms of dipole moment magnitudes, rotational inertia and translational field response.
引用
收藏
页码:9370 / 9374
页数:5
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