Abstract
Phase equilibria in the ethylene carbonate (EC)–sulfolane (SL) binary system were investigated using differential scanning calorimetry in a temperature range from –150 to +50°C to construct a phase diagram of the system. The EC–SL system belongs to a simple eutectic type, with a eutectic point of –16°C at 70 wt % of SL. It was noted that the EC-SL solutions have a tendency to supercooling in the composition range from 50 to 75 wt % of SL; the metastable liquid phase is characterized by a glass transition temperature Tg = –105°C. Reaching of an equilibrium state is hindered in the middle region of compositions; this can be explained in terms of strong dipole-dipole interactions between EC and SL molecules, whose intensity increases with decreasing temperature. Quantum-chemical calculations of the Gibbs energy of the formation of isolated dimers of various types, performed by the M052X method based on density-functional theory, confirm this assumption.
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ACKNOWLEDGMENTS
Quantumchemical calculations were performed on the cluster supercomputer of the Ufa Institute of Chemistry UFRC RAS.
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This work was supported by the Russian Science Foundation (grant no. 18-19-00014).
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Reznitskikh, O.G., Istomina, A.S., Borisevich, S.S. et al. Phase Diagram of Ethylene Carbonate–Sulfolane System. Russ. J. Phys. Chem. 95, 1121–1127 (2021). https://doi.org/10.1134/S0036024421060224
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DOI: https://doi.org/10.1134/S0036024421060224