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UPDATED FINAL PROGRAMME (updated 26-05-2008)
Sessions
A. Introductory Session - Modelling in Nanomaterials
- Role of modelling in nanosciences-nanomaterials
- Simulation opportunities in nanocomposites research
Generic methods:
- Statistical mechanics
- Monte Carlo, Molecular Dynamics, kinetic MC, Transition State Theory
- Non equilibrium thermodynamics and MD
- Coarse graining over multiple time and length scales
- Ab-initio and multi-scale techniques in nanomaterials design
- Numerical solutions using finite differences, finite elements
B. Material Structure
- Atomic scale simulation of nanostructures: organic, inorganic, hybrid, dense
- Pore and grain models, reconstruction
- Sintering: microscopic and geometric modelling
- Mechanical properties of nanomaterials
C. Transport and Sorption
- Dusty Gas -Stefan Maxwell formulation
- Hierarchical modelling
- MC, MD in polymers and biopolymers
- Transport in carbon nanotubes
- Diffraction-assisted reconstruction of zeolites
- Lattice Boltzmann techniques
D. Use of Models to Interpret Experimental Data
- Pore structure determination using a mercury porosimetry simulator
- Pore structure determination using N2 adsorption/desorption: experiment and modelling
E. Training - Demonstration
- Zeolites, polymers, oxides (separation, gas sensing) - Atomic scale s/w
- Membrane modules and separation processes - CFD & Design s/w
- Experimental session: Hg, N2 porosimetry experiments
F. Applications of Nanomaterials
- Fuel Cells, transport in PEMs
- Nanofiltration-Ultrafiltration
- Membrane reactors & contactors
- Ion exchange membranes
- Biological systems
- H2 storage
- Modelling of atmospheric nanoparticles
G. Collaborative Actions - Funding opportunities
- FP7, bilateral, national programmes
- Conclusions - Discussion
H. Visit industrial and start-up high tech companies
I. Poster sessions (3)
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Lecturers
Quirke (Imperial,UK)
Weber (Lawrence Berkeley,USA)
Rutledge (MIT,USA)
Edwards (Tennessee,USA)
Krafczyk (Braunschweig,Germany)
Geraldes (IBET, Portugal)
Pan (Leicester,UK)
Mavrantzas (FORTH/ICE-HT & UPatras)
Theodorou (NTUA,Greece)
Bernauer (ICTP,Czech R)
Van der Vegt (MaxPlanck,Germany)
Berthomieu (CNRS,France)
Vlachos (Delaware,USA)
Gerard (Lyon,France)
Briels (Twente,NL)
Tsamopoulos (UPatras)
Seaton (Edinburgh,UK)
Sanchez (CNRS,France)
Payatakes (FORTH & UPatras)
Tsakiroglou (FORTH/ICE-HT)
Hofmann (GKSS,Germany)
Sistat (Montpellier,France)
Tocci (Calabria,Italy)
Kikkinides (UWM & CERTH/CPERI)
Fila (ICTP,Czech R)
Burganos (FORTH/ICE-HT)
Froudakis (UCrete)
Pandis (Carnegie Mellon, USA, FORTH/ICE-HT & UPatras)
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