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
  • [11] SIMULATION OF ELECTROSTATIC SYSTEMS IN PERIODIC BOUNDARY-CONDITIONS .1. LATTICE SUMS AND DIELECTRIC-CONSTANTS
    DELEEUW, SW
    PERRAM, JW
    SMITH, ER
    [J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1980, 373 (1752): : 27 - 56
  • [12] Hydrogen bonds in imidazolium ionic liquids
    Dong, Kun
    Zhang, Suojiang
    Wang, Daxi
    Yao, Xiaoqian
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (31) : 9775 - 9782
  • [13] Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study
    English, Niall J.
    Mooney, Damian A.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (09)
  • [14] Effects of an external electromagnetic field on rutile Tio2:: A molecular dynamics study
    English, Niall J.
    Sorescu, Dan C.
    Johnson, J. Karl
    [J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2006, 67 (07) : 1399 - 1409
  • [15] Molecular dynamics simulations of microwave effects on water using different long-range electrostatics methodologies
    English, NJ
    [J]. MOLECULAR PHYSICS, 2006, 104 (02) : 243 - 253
  • [16] Theoretical studies of the kinetics of methane hydrate crystallization in external electromagnetic fields
    English, NJ
    MacElroy, JMD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (21) : 10247 - 10256
  • [17] Hydrogen bonding and molecular mobility in liquid water in external electromagnetic fields
    English, NJ
    MacElroy, JMD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (22) : 11806 - 11813
  • [18] Molecular dynamics simulations of microwave heating of water
    English, NJ
    MacElroy, JMD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (04) : 1589 - 1592
  • [19] Solventless and swift benzoin condensation catalyzed by 1-alkyl-3-methylimidazolium ionic liquids under microwave irradiation
    Estager, Julien
    Leveque, Jean-Marc
    Turgis, Raphael
    Draye, Micheline
    [J]. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 2006, 256 (1-2) : 261 - 264
  • [20] A simulation study of water-dialkylimidazolium ionic liquid mixtures
    Hanke, CG
    Lynden-Bell, RM
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (39) : 10873 - 10878