Two PhD positions, University Rovira i Virgili, Tarragona, Spain.
We currently have available two fully financed PhD positions to join
the following projects in our Molecular Simulation research group
(http://www.etseq.urv.cat/ms/) in the Department of Chemical
Engineering, University Rovira i Virgili, Tarragona, Spain, more
information can be found in the web page
http://www.etseq.urv.es/complex/index_cs.htm in the section "jobs".
The ideal candidate should have an engineering or science degree and
be prepared to be involved in large scale numerical calculations
along with algorithm and theoretical development. Candidates should
preferably hold a Master's degree, or have an official title enabling
them to start a Ph.D. in their country of origin, with a minimum of
300 ECTS credits of higher education. Interested applicants should
send an email message with CV to
<mailto:[log in para visualizar]>[log in para visualizar] for the first project
and <mailto:[log in para visualizar]>[log in para visualizar] for the second
before the 30th of April 2009, although applicants will be considered
after that date if no suitable candidate is found.
Project 1: Dynamics of growth
This project consists of modelling the formation of the
microstructure of a polymeric membrane, when made by precipitating
the polymer from a solution by means of a third chemical. It is
essentially a 3-component phase-separation problem. Such membranes
are typically porous and used as very fine filters, aimed at
particles of different sizes. Therefore, one needs to control the
pore sizes (the microstructure) and hence the need for simulations.
They can also be used to encapsulate other chemicals. Experiments in
both directions are being done, and our goal is to compare with
them. The project will involve solving coupled reaction-diffusion
partial differential equations, in principle by finite difference and
simple numerical methods.
Project 2: Amine characterisation using molecular simulation
This project focuses on the development and application of molecular
simulation techniques for the prediction of thermodynamic properties
for systems of interest to the Chemical and Petroleum industries.
Particular emphasis will be placed on the study of aqueous amine
systems including the development of new intermolecular potentials
and novel simulation methodologies. This is a collaborative project
with the IFP in Paris, France and approximately half of the time will
be spent at the IFP and half at the URV.