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Allan Mackie <[log in para visualizar]>
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Foro sobre Fisica Estadistica <[log in para visualizar]>
Tue, 31 Mar 2009 17:22:28 +0200
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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 
( in the Department of Chemical 
Engineering, University Rovira i Virgili, Tarragona, Spain, more 
information can be found in the web page 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.