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Characterization and preferential solvation of the hexane/hexan-1-ol/methylbenzoate ternary solvent
S Aparicio1, R Alcalde, J M Leal
1Universidad de Burgos, Departamento de Química, 09001 Burgos, Spain.
This study investigates the thermophysical properties of hexane, hexan-1-ol, and methylbenzoate mixtures. Analysis reveals insights into molecular interactions and volumetric behavior using advanced thermodynamic models.
Area of Science:
- Physical Chemistry
- Thermodynamics
- Chemical Engineering
Background:
- Understanding ternary mixtures is crucial for chemical process design.
- Thermophysical properties dictate mixture behavior and applications.
Purpose of the Study:
- To investigate the thermophysical properties of the hexane/hexan-1-ol/methylbenzoate ternary system.
- To analyze molecular interactions and local compositions within the mixtures.
- To validate predictive models for volumetric properties.
Main Methods:
- Experimental measurement of thermophysical properties at 298.15 K.
- Application of the UNIFAC group contribution method for activity coefficients.
- Utilizing Kirkwood-Buff theory and cubic equations of state for analysis.
Main Results:
- Calculated excess and mixing properties, and mixture activity coefficients.
- Determined local compositions and molecular excess/deficit numbers.
- Successfully correlated and predicted volumetric properties using cubic equations of state.
Conclusions:
- The study provides a comprehensive analysis of the ternary system's thermophysical behavior.
- Established relationships between measured properties and intermolecular interactions.
- Validated the predictive capability of selected equations of state for such mixtures.
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