Postdoctoral positions in Chemical Engineering at U. of Patras

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From: "HR-Net News Distribution Manager" <dist@hri.org>

Originally From: Astero Provata <aprovata@mail.demokritos.gr>

LABORATORY OF STATISTICAL THERMODYNAMICS AND MACROMOLECULES

DEPARTMENT OF CHEMICAL ENGINEERING, UNIVERSITY OF PATRAS
AND
INSTITUTE OF CHEMICAL ENGINEERING AND HIGH-TEMPERATURE CHEMICAL PROCESSES
FOUNDATION OF RESEARCH AND TECHNOLOGY, HELLAS
GR-26500, Patras, Greece

Two post-doctoral positions are available in the area of molecular modelling of polymers. The successful candidates must have a Ph.D. degree in Chemical Engineering, Materials Science, Chemistry, or Physics, a strong background in polymer physics and statistical mechanics, and extensive research experience in large-scale scientific computing.

The positions are available in the context of the European Research Network "New Routes to Understanding Polymer Materials Using Experiments and Realistic Modelling". The research will involve Monte Carlo and molecular dynamics simulations of amorphous polymer systems, aimed at predicting volumetric properties, phase equilibria, segmental dynamics and permeability from chemical constitution. It will also involve comparisons of simulation results against neutron scattering and NMR measurements carried out in partner laboratories of the Network.

Post-doctoral position 1 will focus on blends of isotactic, syndiotactic and atactic polypropylene and on blends of cis-1,4-polyisoprene and 1,2-polybutadiene. This study is motivated by the need to tailor polymer blend properties in technological applications. Novel Monte Carlo algorithms will be applied to understand the factors controlling miscibility in these systems, while the mechanisms and rates of segmental motions associated with the glass transition will be explored through molecular dynamics simulations.

Post-doctoral position 2 will focus on predicting the permeability of oxygen through poly(vinyl alcohol) in the absence or presence of water. This study is motivated by the widespread use of poly(vinyl alcohol) as a barrier material in packaging applications. Other polymer/penetrant systems may also be examined. Monte Carlo and molecular dynamics simulations, geometric analysis of accessible volume and multidimensional transition-state theory will be used to predict sorption isotherms and diffusion coefficients and to analyze the molecular factors controlling permeability.

Both positions are open to nationals of any member state of the European Union, except Greece. The desired starting date is between January 1 and March 1, 2000. Both positions are available for one year, with a possibility of extension for a second year.

In addition to their computational work in Patras, both post-doctoral fellows will have the opportunity to spend periods of three weeks or so in other laboratories of the Network, doing complementary experimental or computational work on their research topic.

The other partner laboratories of the Network are: UMIST, Manchester, UK (Prof. Julian Clarke, coordinator); U. L. Bruxelles, B (Prof. Jean- Paul Ryckaert); C.N.R.S. Paris, F (Dr. Francoise Laupretre); U. Complutense, Madrid, ES (Prof. Juan Freire); Heriot-Watt University, Edinburgh, UK (Prof. Valeria Arrighi); MPI Mainz, D (Prof. Kurt Kremer, Dr. Burkhard Duenweg, Dr. Florian Mueller-Plathe).

To get a feeling for the work involved, candidates are invited to look at the following publications:

Mavrantzas, V.G.; Boone, T.D.; Zervopoulou, E.; Theodorou, D.N. "End-Bridging Monte Carlo: An Ultrafast Algorithm for Atomistic Simulation of Condensed Phases of Long Polymer Chains" Macromolecules 1999, 32, 5072-5096.

Antoniadis, S.J.; Samara, C.T; Theodorou, D.N. "Molecular Dynamics of Atactic Polypropylene Melts" Macromolecules 1998, 31, 7944-7952.

Greenfield, M.L.; Theodorou, D.N. "Molecular Modeling of Methane Diffusion in Glassy Atactic Polypropylene via Multidimensional Transition State Theory" Macromolecules 1998, 31, 7068-7090.

Theodorou, D.N. "Molecular Simulations of Sorption and Diffusion in Amorphous Polymers", in Diffusion in Polymers; Neogi, P., Ed; Marcel Dekker: New York, 1996; pp 67-142.

Candidates interested in the positions described above are invited to submit a curriculum vitae with list of publications and e-mail addresses of two references who are familiar with their work to

Professor Doros N. Theodorou
Department of Chemical Engineering
University of Patras
GR 26 500 Patras, GREECE
Tel. +3061 997 398
Fax +3061 993 255
doros@sequoia.chemeng.upatras.gr
http://tahoe.chemeng.upatras.gr

* Dr. Astero Provata                                    *
* Institute of Physical Chemistry                       *
* NRCPS "Demokritos"                                    *
* 15310 Athens, Greece                                  *
*                                                       *
* Phone: +30 1 6503964;  Fax: +30 1 6511766             *
* Email: aprovata@limnos.nrcps.ariadne-t.gr             *
* Homepage: http://limnos.nrcps.ariadne-t.gr/~aprovata/ *

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