Characterization and preferential solvation of the hexane/hexan-1-ol/methylbenzoate ternary solvent

被引：10

作者：

Aparicio, S ^{[1
]}

Alcalde, R ^{[1
]}

Leal, JM ^{[1
]}

García, B ^{[1
]}

机构：

[1] Univ Burgos, Dept Quim, Burgos 09001, Spain

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2005年 / 109卷 / 13期

关键词：

D O I：

10.1021/jp044448o

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 thermophysical properties of the hexane/hexan-1-ol/methylbenzoate ternary system and its binary constituents were studied at 298.15 K over the whole composition range. The excess and mixing properties calculated from the experimental values combined with the mixture activity coefficients deduced from the UNIFAC group contribution method were used to calculate the integrals of the Kirkwood-Buff fluctuation theory for the ternary system and the binary constituents. Also the local composition and the excess or deficit number of molecules around a central molecule have been determined. The volumetric properties for the ternary system and its binary constituents were correlated and predicted successfully with several cubic equations of state combined with two simple mixing rules. The structural and intermolecular interactions of the mixtures were analyzed on the basis of the measured and derived properties.

引用

页码：6375 / 6385

页数：11

共 56 条

[1]

Acree Jr WE, 1984, THERMODYNAMIC PROPER, P62

[2] A NEW METHOD TO PREDICT THERMODYNAMIC PROPERTIES OF MIXTURES BY MEANS OF A CUBIC EQUATION OF STATE [J].