This project will use advanced molecular dynamics and Monte Carlo simulations to study how structured three-component fluids can be used to control crystal nucleation and growth. The computational work will proceed in close collaboration with experimental investigations that are already underway in the Chemistry Department at Durham University. Candidates should have a strong background in computational chemistry, especially molecular simulation. Programming skills are also highly desirable.
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 at Durham 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 effort will require both existing state-of-the art techniques and the development of specialized methodology. As well as rationalizing existing experimental observations, we will be aiming to develop a predictive framework for control of crystallization. Together, the simulations and ongoing experimental work will provide a holistic approach to the subject.
Durham University has particular strengths in computational chemistry and soft matter, hosting the Durham Centre for Soft Matter and an EPSRC Centre for Doctoral Training in soft matter (SOFI2) together with the Universities of Leeds and Edinburgh. Durham is also currently hosting the CCP5 International Simulation Summer School. Durham's Chemistry Department was ranked first in the UK for the impact of its research in the most recent national Research Excellence Framework (REF 2014). The University's collegiate system offers all students further opportunities for interdisciplinary and extracurricular activities. Durham itself is a picturesque medieval city in northeast England, centred on a World Heritage Site consisting of the 11th century Castle (now part of the University) and Cathedral.
Apply here [link: https://studyatdurham.microsoftcrmportals.com/en-US/] using course code F1A001. Informal enquiries may be directed to Prof. Mark Wilson [[Email Address Removed]], Dr Mark Miller [[Email Address Removed]] or Dr Sharon Cooper [[Email Address Removed]]
Continue with Facebook
