Multicomponent liquid mixtures are ubiquitous in both chemical engineering and pharmaceutical research. We use both phase-field modelling and classical molecular dynamics simulation to study the phase diagram and miscibility of the multicomponent mixture. In the last few years, we have established a strong link with the School of Pharmacy to help improve the bio-availability of poorly soluble drugs.
Recently we have modified the so-called two-phase theory of liquids to obtain a reliable estimate of the chemical potentials in an efficient way. In future, we plan to apply the 2PT to chemical engineering problems.
Researcher: Lorenzo Stella