Estimating the nonideality of eutectic systems containing thermally unstable substances
Alhadid A, Jandl C, Nasrallah S, Kronawitter SM, Mokrushina L, Kieslich G, Minceva M (2023)
Publication Type: Journal article
Publication year: 2023
Journal
Book Volume: 159
Article Number: 094503
Journal Issue: 9
DOI: 10.1063/5.0158985
Abstract
Eutectic systems design requires an in-depth understanding of their solid-liquid equilibria (SLE). Modeling SLE in eutectic systems has as prerequisites, the melting properties and activity coefficients of components in the liquid phase. Thus, due to the unavailable melting properties of thermally unstable substances, it is impossible to estimate their activity coefficients from experimental SLE data and model the SLE phase diagram of their eutectic systems. Here, we evaluate the activity coefficients of thermally unstable constituents in the liquid phase, which were calculated independent of their melting properties by correlating the SLE data of their cocrystals. Differential scanning calorimetry and powder x-ray diffraction were employed to obtain the SLE phase diagram of three eutectic systems, i.e., tetramethylammonium chloride/catechol, tetraethylammonium chloride/catechol, and betaine/catechol systems, and identify the formation of nine cocrystals. The non-random, two-liquid equation was used to calculate the activity coefficients of the components in the liquid phase. The substantial negative deviation from ideality in the three studied systems indicated strong hydrogen bonding interactions in the liquid solution. Furthermore, modeling ion-ion interactions in eutectic systems containing ionic constituents is of utmost importance for understanding their nonideality.
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APA:
Alhadid, A., Jandl, C., Nasrallah, S., Kronawitter, S.M., Mokrushina, L., Kieslich, G., & Minceva, M. (2023). Estimating the nonideality of eutectic systems containing thermally unstable substances. Journal of Chemical Physics, 159(9). https://dx.doi.org/10.1063/5.0158985
MLA:
Alhadid, Ahmad, et al. "Estimating the nonideality of eutectic systems containing thermally unstable substances." Journal of Chemical Physics 159.9 (2023).
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