[HTML][HTML] Group contribution method promoted correlations of glass transition temperature of deep eutectic solvents

SS Tak, D Kundu - Chemical Thermodynamics and Thermal Analysis, 2023 - Elsevier
Glass transition temperature (T g) being a crucial thermal property, linear models for
predicting T g of deep eutectic solvents (DES) are proposed. The group contribution method
and genetic algorithm using an experimental dataset of 51 DESs are applied to obtain the
group contribution values for each functional group present in DESs by considering their
stereochemistry. By segregating the DESs into subclasses according to their molecular
structures, linear regressions for each class are performed to develop the model. The …
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