Viscosities of the Mixtures of 1-Ethyl-3-Methylimidazolium Chloride with Water, Acetonitrile and Glucose: A Molecular Dynamics Simulation and Experimental Study

被引:51
作者
Chen, Ting
Chidambaram, Mandan
Liu, Zhiping
Smit, Berend [1 ]
Bell, Alexis T.
机构
[1] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA
关键词
ATOM FORCE-FIELD; IONIC LIQUIDS; SHEAR VISCOSITY; TRANSPORT-PROPERTIES; IMIDAZOLIUM; TEMPERATURE; NONEQUILIBRIUM; MODEL; DISSOLUTION; HYDROLYSIS;
D O I
10.1021/jp911372j
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
A recently improved ionic liquid force field was used to compute the viscosity for binary and ternary mixtures of 1-ethyl-3-methylimidazolium chloride ([emim][Cl]) with water, acetonitrile, and glucose. For the same systems, experimental viscosity data are provided. The simulation and experimental results were in reasonable agreement. Simulations consistently overestimate the viscosities for the mixtures of [emim][Cl] and glucose while the viscosities of the mixtures of glucose and water are well reproduced. Both experiments and simulations show that the addition of acetonitrile reduces the viscosity of a solution of [emim][Cl] and glucose by more than an order of magnitude.
引用
收藏
页码:5790 / 5794
页数:5
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