Computer simulation studies of crystallization in structured ternary fluids

Structured ternary fluids consist of two immiscible liquids: typically an oil and water, and a hydrotrope that is miscible with both liquids.

Recent experimental work has revealed that these mixtures provide a controlled environment for crystallization, offering unique kinetics for nucleation and growth.

In this project, computer simulations at the atomistic and coarse-grained levels will be used to provide insight into the thermodynamics and kinetics of crystallization in such fluids.

This project will require both existing state-of-the art computational techniques and the development of specialized methodology.

As well as rationalizing existing experimental observations, the project aims to develop a predictive framework for the control of crystallization.