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ANR PNANO-2007 PROJECT : SIMONANOMEM
PNANO-2007, SIMONANOMEM : Simulation and Modeling of the transport across Polymeric Nanoporous Membranes prepared by self-assembly of block copolymers
February 2008 - January 2012
Coordinator, John Palmeri.
4 partners :
1. LPT, Toulouse : John Palmeri (CNRS), David Dean (UPS), Manoel Manghi (UPS) ; Sahin Buyukdagli (Post-doctorant ANR), Lorand Horvath (Doctorant UPS)
2. IEM, Montpellier : André Deratani (CNRS), Damien Quémener (UM2) ; Guilhem Bonniol (Assistant Ingénieur, ANR).
3. CROPS, Marseilles : Didier Gigmes (CNRS), Trang Phan (UP), Denis Bertin (UP) ; Quang Ngoc TRAN (Post-doctorant ANR), Jasmine Messemanne.
4. ICG, Montpellier : Benoit Coasne (CNRS), Francois Henn (UM2) ; Pierre-André Cazade (Post-doctorant ANR)
Résumé
In order to bring the novel and revolutionary properties of nanostructured materials to the macroscale of industrial applications, we propose to develop reliable and efficient methods for modeling and simulating the liquid-phase transport properties of ions and small molecules in nanopores (confined aqueous systems).
We will develop self-assembly techniques for obtaining block-copolymer nano-materials with transport properties tailor-made for given industrial separation problems via a better understanding of solute-solute and solute-nanomaterial interactions. These multi-scale modeling techniques will be validated by comparison with both experiments performed on model systems and molecular-level computer simulations.
In the area of nanoporous membranes (nanofilters for purification processes, contactors, and sensors), empirical trial and error methods are unable to lead successfully and economically to optimized systems. Because fundamental scientific knowledge at the nanoscale is still lacking and brute force molecular simulations of nanomaterials are not yet capable of bridging the length and time scales needed to reach the macroscale, we propose carrying out a synergetic three pronged attack to better master the fabrication and transport properties of nanoporous membranes :
1. Experimental membrane preparation and characterization,
2. Theory and modeling going beyond bulk continuum methods,
3. Molecular level simulations
Scientific Output (articles, conferences proceedings, posters, etc.)