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Thermodynamics of mixtures containing a very strongly polar compound: IV - Application of the DISQUAC, UNIFAC and ERAS models to DMSO plus organic solvent systems
被引:16
|作者:
Gonzalez, JA
[1
]
Villa, S
[1
]
Riesco, N
[1
]
De la Fuente, IG
[1
]
Cobos, JC
[1
]
机构:
[1] Univ Valladolid, Dept Fis Aplicada & Termodinam, GETEF, E-47071 Valladolid, Spain
关键词:
thermodynamics;
mixtures;
DMSO;
1-alkanol;
models;
dipole-dipole interactions;
D O I:
10.1080/00319100310001621868
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:
Binary mixtures of dimethylsulfoxide (DMSO) with alkane, benzene, toluene 1-alkanol, or 1-alkyne have been investigated in terms of DISQUAC. The corresponding interaction parameters are reported. ERAS parameters for 1-alkanol + DMSO mixtures are also given. ERAS calculations were developed considering DMSO as a not self-associated compound. DISQUAC represents fairly well a complete set of thermodynamic properties: molar excess enthalpies, molar excess Gibbs energies, vapor-liquid equilibria, natural logarithms of activity coefficients at infinite dilution, or partial molar excess enthalpies at infinite dilution. DISQUAC improves UNIFAC calculations for H-E. Both models yield similar results for VLE. In addition, DISQUAC also improves, ERAS results for 1-alkanol + DMSO mixtures. This may be due to ERAS cannot represent the strong dipole-dipole interactions present in such solutions.
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页码:583 / 597
页数:15
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