Marie Skłodowska Curie Early Stage Researcher (Project 7) in MSCA ERICA "Engineered Calcium-Silic...

University of Surrey
September 13 2017
Position Type
Full Time
Organization Type

A PhD funded by the MSC European training network ERICA (GA n° 764691) is available at University of Surrey, UK (USurrey).

The title of the PhD is “Molecular Dynamic and Monte Carlo Study of Water in Hydrates During Desorption and Re-sorption”.

The project has two objectives: (i) starting with molecular dynamics (MD) hydrate structures from elsewhere, to explore structural changes seen in MD as water is systematically removed from the system, and to see whether these MD structures go on to show the reversible and irreversible changes after re-wetting seen in experiment; (ii) to use the MD results to parametrise a Monte Carlo model of water sorption in hydrates built using the “Etzold continuous sheet model” and in particular to introduce structural relaxation into the “Etzold model” so as to create a platform for larger scale transport studies.

This job comes from a partnership with Science Magazine and Euraxess