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包含[Cmim][BF]与乙酰乙酸乙酯或苯甲醛的二元体系的分子相互作用研究。

Molecular interaction studies of binary systems comprising [Cmim] [BF] with ethyl acetoacetate or benzaldehyde.

作者信息

Kabane Bakusele, Chokkareddy Rajasekhar, Redhi Gan G

机构信息

Physical Chemistry Laboratories, Department of Chemistry, Durban University of Technology, Durban, 4000, South Africa.

出版信息

Heliyon. 2019 May 17;5(5):e01548. doi: 10.1016/j.heliyon.2019.e01548. eCollection 2019 May.

Abstract

In this work, new data for the binary mixtures containing 1-ethyl-3-methylimidazolium tetrafluoroborate ([Cmim] [BF]) ionic liquid (IL) with benzaldehyde or ethyl acetoacetate were investigated under atmospheric pressure (p = 0.1 MPa) and at temperatures (293.15-313.15) K. The binary mixtures were completely miscible at all proportions. Densities ( ), viscosities ( ) as well as speeds of sound were conducted across the entire range of mole fraction ( = 0 to 1). The excess properties which include excess molar volumes , intermolecular free length ( ), deviations in viscosity ( ), isentropic compressibility , apparent molar isentropic compressibility ( ) as well as deviation in isentropic compressibility were determined from the experimentally found results of speed of sound, viscosity and density. The obtained derived properties have been elucidated in terms of solute-solvent interactions taking place in the systems. The investigation of thermophysical properties of organic solvents with ionic liquids is essential as they decide the transformation of ionic liquids from small laboratory scale to large industrial applications. The obtained results are important and essential as they describe the molecular interactions, and can be used in constructing the structure-property correlation as well as molecular modelling that exist between [Cmim] [BF] with benzaldehyde or ethyl acetoacetate. Redlich-Kister polynomial equation was used to fit the excess values and a good correlation was achieved.

摘要

在本工作中,研究了含有1-乙基-3-甲基咪唑四氟硼酸盐([Cmim][BF])离子液体(IL)与苯甲醛或乙酰乙酸乙酯的二元混合物在常压(p = 0.1 MPa)和温度(293.15 - 313.15)K下的新数据。二元混合物在所有比例下均完全互溶。在整个摩尔分数范围(x = 0至1)内测定了密度(ρ)、粘度(η)以及声速(u)。根据声速、粘度和密度的实验结果确定了包括过量摩尔体积(V^E)、分子间自由长度(L_f)、粘度偏差( Δη)、等熵压缩率(κ_s)、表观摩尔等熵压缩率(κ_s^0)以及等熵压缩率偏差(Δκ_s)在内的过量性质。已根据体系中发生的溶质 - 溶剂相互作用对所获得的导出性质进行了阐释。研究有机溶剂与离子液体的热物理性质至关重要,因为它们决定了离子液体从小规模实验室规模向大规模工业应用的转变。所获得的结果非常重要且必不可少,因为它们描述了分子间相互作用,可用于构建[Cmim][BF]与苯甲醛或乙酰乙酸乙酯之间存在的结构 - 性质相关性以及分子模型。使用Redlich - Kister多项式方程拟合过量值,并获得了良好的相关性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fceb/6526235/c05d38585d4e/gr1.jpg

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