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离子液体1-烷基-3-甲基咪唑氯铝酸盐的物理化学性质估算

Estimation of physicochemical properties of ionic liquids 1-alkyl-3-methylimidazolium chloroaluminate.

作者信息

Tong Jing, Liu Qing-Shan, Xu Wei-Guo, Fang Da-Wei, Yang Jia-Zhen

机构信息

College of Chemistry, Laboratory of Green Chemistry, Liaoning University, Shenyang 110036, People's Republic of China.

出版信息

J Phys Chem B. 2008 Apr 10;112(14):4381-6. doi: 10.1021/jp711767z. Epub 2008 Mar 18.

Abstract

The density and surface tension of ionic liquids [C(2)mim][AlCl(4)] (1-ethlyl-3-methyl imidazolium chloroaluminate) and [C(6)mim][AlCl(4)] (1-hexyl-3-methylimidazolium chloroaluminate) were measured in the temperature range from 283.15 to 338.15 +/- 0.05 K. In terms of these experimental results, the estimation of physicochemical properties of 1-alkyl-3-methylimidazolium chloroaluminate ([C(n)mim][AlCl(4)], n = 1-6) was carried out. With the use of the parachor, the values of surface tension of the ILs were predicted. In terms of Glasser's theory, the standard molar entropy, lattice energy, and surface properties of the ILs were estimated. With the use of Kabo's method and Rebelo's method, the molar enthalpy of vaporization of the ILs, Delta(l)(g)H(m)(0), was predicted. According to the interstice model, the values of the thermal expansion coefficient of the ILs were also estimated. Since the magnitude order of the thermal expansion coefficient estimated by the model is in good agreement with that measured experimentally, this result means that the interstice model is reasonable.

摘要

测定了离子液体[C(2)mim][AlCl(4)](1-乙基-3-甲基咪唑氯铝酸盐)和[C(6)mim][AlCl(4)](1-己基-3-甲基咪唑氯铝酸盐)在283.15至338.15±0.05 K温度范围内的密度和表面张力。根据这些实验结果,对1-烷基-3-甲基咪唑氯铝酸盐([C(n)mim][AlCl(4)],n = 1 - 6)的物理化学性质进行了估算。利用等张比容预测了离子液体的表面张力值。根据格拉泽理论估算了离子液体的标准摩尔熵、晶格能和表面性质。利用卡波方法和雷贝洛方法预测了离子液体的摩尔汽化焓Δ(l)(g)H(m)(0)。根据孔隙模型还估算了离子液体的热膨胀系数值。由于模型估算的热膨胀系数大小顺序与实验测量值吻合良好,这一结果表明孔隙模型是合理的。

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