Thermodynamics of mixtures containing alkoxyethanols: Part XVII ERAS characterization of alkoxyethanol + alkane systems
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Abstract
Alkoxyethanol + alkane systems have been examined in the framework of the ERAS model. An exact expression for the molar excess heat capacity at constant pressure, C P E , of solutions formed by a self-associated compound and an inert solvent has been derived. The C P E and the molar excess enthalpies (H E ) and excess volumes (V E ), as well as the molar enthalpies of vaporization of the pure alkoxyethanols, are represented accurately by ERAS. The calculated curves for H E and V E are skewed towards high mole fractions of the alkane. The experimental curves are more symmetrical. The opposite behaviour is observed for C P E in solutions with 2-ethoxyethanol, 2-propoxyethanol, or 2-butoxyethanol. The differences between the experimental and theoretical values arise because ERAS does not properly take into account the enhanced dipoledipole interactions due to the formation of intramolecular H-bonds in alkoxyethanols. As in previous applications, ERAS cannot simultaneously represent molar excess Gibbs energies and liquidliquid equilibria. DISQUAC, a purely physical theory, improves ERAS predictions for H E (except at high temperatures and pressures) and for C P E . Liquidliquid equilibria are also described more consistently. The self-association of alkoxyethanols via intramolecular H-bonds and the strong dipoledipole interactions lead to values of the self-association enthalpy and of the adjustable parameter of the physical contribution to H E and V E that are higher than those of the homomorphic 1-alkanols. In contrast, the equilibrium constants are lower. There is good agreement between the partial molar excess enthalpies at 298.15 K and infinite dilution of 2-alkoxyethanol in 2-alkoxyethanol(1) + n-heptane(2) mixtures and the values of the self-association enthalpies. Key words: alkoxyethanol, intermolecular, intramolecular, H-bond, dipoledipole interactions.
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| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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