Ph.D. position in classical (non-equilibrium) molecular dynamics of clathrate hydrates

Category: Job

Date: 26-Nov-2014 16:48

Message:

Gas hydrates are non-stoichiometric crystalline inclusion compounds in which a water host lattice encages small guest atoms or molecules in cavities. Methane hydrates are the most widespread type of clathrate and these are found naturally in permafrost and deep ocean regions. Given methane’s circa 20-fold-greater propensity to retain heat in the atmosphere vis à vis carbon dioxide, even small releases of methane is rather sobering. Gas hydrates also block gas transmission lines, often at temperatures above the ice point. Indeed, flow assurance for natural gas transport and potential carbon-dioxide sequestration has become one of the most challenging aspects for the gas industry. In recent years, computer simulations of hydrate structure and dynamical properties, as well as of hydrate nucleation and formation, have advanced our molecular-level understanding of such processes. In this potential Ph.D. project, non-equilibrium molecular dynamics will be applied to simulate directly hydrate formation and nucleation under natural and pipeline conditions. Expressions of interest to conduct possible Ph.D. research in this project are invited, under the supervision of Dr. Niall English (School of Chemical and Bioprocess Engineering, UCD). Strong programming, mathematical and physics abilities are required, as are good oral communication and writing skills in English. Those interested should contact Dr. English for further discussions by 17th December 2014, providing a CV with reference sources, and further describing their programming experience in great detail. School of Chemical and Bioprocess Engineering, UCD Engineering and Materials Science Centre, University College Dublin. Tel:+353-1-716-1646 Email: niall.english@ucd.ie Web:http://rogaine.ucd.ie/group/mews.htm