Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-γ Mie.

ABSTRACT: Deep-eutectic solvents and room temperature ionic liquids are increasingly recognised as appropriate materials for use as active pharmaceutical ingredients and formulation additives. Aqueous mixtures of choline and geranate (CAGE), in particular, have been shown to offer promising biomedical properties but understanding the thermophysical behaviour of these mixtures remains limited. Here, we develop interaction potentials for use in the SAFT-γ Mie group-contribution approach, to study the thermodynamic properties and phase behaviour of aqueous mixtures of choline geranate and geranic acid. The determination of the interaction parameters between chemical functional groups is carried out in a sequential fashion, characterising each group based on those previously developed. The parameters of

SUBMITTER: Di Lecce S 

PROVIDER: S-EPMC9075776 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature