Reconsideration of Dielectric Relaxation of Aqueous Urea Solutions at Different Temperatures

被引:5
作者
Liu, Jian-Chuan [1 ]
Jia, Guo-Zhu [1 ]
机构
[1] Sichuan Normal Univ, Coll Phys & Elect Engn, Chengdu 610000, Peoples R China
基金
美国国家科学基金会;
关键词
Urea aqueous solution; Cooperative interactions; Dimer; Enthalpy; MOLECULAR-DYNAMICS SIMULATIONS; REFRACTIVE-INDEXES; WATER; FREQUENCY;
D O I
10.1007/s10953-016-0458-x
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
Urea structures in aqueous urea solution (8 mol center dot L-1) were examined by dielectric relaxation spectroscopy (DRS) in the frequency range 500 MHz-50 GHz, from 20 to 80 A degrees C. The mixture behavior is described in terms of the Havriliak-Negami and two Debye type relaxation models whose evolution with temperature is analyzed. A distinct antiparallel arrangement of dipoles is obtained for urea in the aqueous solution, according to the Kirkwood correlation factor, calculated from the static permittivity. We have also analyzed enthalpy, entropy and the activation energy of molecular reorientation of aqueous urea solution, and analyzed the formation of dimers about urea and water using the density functional theory.
引用
收藏
页码:485 / 496
页数:12
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