The TCN - SBE&S Series
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Event 22: See Event 10
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The following topics will be the major subjects of the Conference: classical molecular dynamic simulations; hybrid methods able to include quantum effects and alternative descriptions of Grotthus-type proton transfer mechanism; mesoscopic simulation methods; Monte Carlo methods for porous materials; experimental approaches to characterize structural and transport properties.
Program and timetable
Sunday 15 October
15.00-21.00
Monday 16 October
9.00-9.15 Opening Conference
9.15-10.00 A. Kornyshev, Imperial College London, UK. How to make the proton run? Understanding the bottlenecks for proton transport
10.00-11.45 G. Alberti, University Perugia, Italy Correlations between water-uptake, memory, mechanical properties, conductivity and conductivity instability for Nafion and Nafion composite membranes
10.30-10.45 Coffee Break
11.00-11.45 S. Roy, Technische Universität Darmstadt, Germany. Fuel Cell Polymer Membrane: Atomistic and Mesoscale Simulations
11.45-12.30 A. Neimark, Rutgers State University, NJ, USA. Mesocopic Canonical Ensemble as an Efficient MC
12.30-14.00 Lunch
14.00-14.45 E. Spohr, Forschungszentrum Juelich, Germany. MD Simulation of Proton Transport in Model Polymer Electrolyte Membranes
14.45-15.30 J. Elliot, University of Cambridge, UK. Molecular Modelling of the Short-Side-Chain Perfluorosulfonic Acid Membrane
15.30-15.45 Coffee Break
15.45-16.30 O. Diat, CEA-Grenobel, France Multiscale approach of water trnsport in proton exchange membrane
16.30-17.15 B. D'Aguanno, CRS4, Italy. MD Analysis of Structure and Transport in Nafion Channels
17.15-18.00 D.W.M. Hofmann, CRS4, Italy. Simulation of composite Nafion fuel cell membranes
Tuesday 17 October
9.15-10.00 B. Scrosati, University La Sapienza, Rome, Italy. New, ionic-liquid-based, proton membranes
10.00-10.45 M. Casciola University of Perugia, Italy. On the decay of Nafion proton conductivity at high temperature and relative humidity
10.45-11.00 Coffee Break
11.00-11.45 V. Di Noto, Rocco Gliubizzi, Enrico Negro and Giuseppe Pace, University Padova, Italy Effect of SiO2 on relaxation phenomena and mechanism of ion conductivity of [NafionTM117/(SiO2)x] composite membranes
11.45-12.30 A. Khokhlov, Lomonosov State University, Moscow, Russia. Computer Modeling of Structure and Transport Properties in Polymer Membranes
12.45-14.00 Lunch
14.00-14.45 R. Datta, Worchester Polytechnic Institute, MA, USA. Curious Thermodynamic and Transport Properties of Nafion
14.45-15.30 L. Pisani, CRS4, Italy. A simple analytical model for the conductivity of sulfonated membranes
15.30-15.45 Coffee Break
15.45-16.30 M. Meunier, Accelrys, Cambridge, UK. Solubility of small gas molecules in amorphous polymers estimated by simulations
16.30-17.15 M. Valle, Swiss National Supercomputing Centre, Switzerland Beyond Ball-and-Stick. In search of the perfect visualization tool for Chemistry
17.15-17.30 Closing Remarks
Wednesday 18 October
9.15-12.45 NUME meeting
Accomodation
Presently we are looking for hotels. Seen, that October is out of high season, there will be no problems for near-term booking.
Arrival
You might arrive most simple by airplan at the airport Elmas-Cagliari ( flight schedule ).From there you can take bus to Cagliari. A map you can find here
Sponsors
The conference is supported by the European Community
and is part of the Marie Curie Actions 
.
- When
-
2006-10-15 02:30
to
2006-10-18 17:30
- Where
- CRS4, Pula, Italy
