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
相关论文
共 42 条
  • [1] Allen M. P., 1987, Computer Simulation of Liquids, DOI [10.1093/oso/9780198803195.001.0001, DOI 10.1093/OSO/9780198803195.001.0001]
  • [2] Berendsen H. J. C., 1981, Intermol. Forces, P331
  • [3] Refined potential model for atomistic simulations of ionic liquid [bmim][PF6]
    Bhargava, B. L.
    Balasubramanian, S.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (11)
  • [4] Nonequilibrium molecular dynamics of microwave-driven zeolite-guest systems: Loading dependence of athermal effects
    Blanco, C
    Auerbach, SM
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (11) : 2490 - 2499
  • [5] Microwave-driven zeolite-guest systems show athermal effects form nonequilibrium molecular dynamics
    Blanco, C
    Auerbach, SM
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002, 124 (22) : 6250 - 6251
  • [6] Butt H.-J., 2006, PHYS CHEM INTERFACES
  • [7] Molecular modeling and experimental studies of the thermodynamic and transport properties of pyridinium-based ionic liquids
    Cadena, C
    Zhao, Q
    Snurr, RQ
    Maginn, EJ
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (06) : 2821 - 2832
  • [8] Why is CO2 so soluble in imidazolium-based ionic liquids?
    Cadena, C
    Anthony, JL
    Shah, JK
    Morrow, TI
    Brennecke, JF
    Maginn, EJ
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (16) : 5300 - 5308
  • [9] Coffey W., 1996, The Langevin Equation: With Applications in Physics, Chemistry, and Electrical Engineering
  • [10] A force field for liquid state simulations on room temperature molten salts:: 1-ethyl-3-methylimidazolium tetrachloroaluminate
    de Andrade, J
    Böes, ES
    Stassen, H
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (14) : 3546 - 3548