Laboratoire de Physique Théorique
Toulouse - UMR 5152

Publications

1) Lara Perrin, Trang N. T. Phan, Sarah Querelle, André Deratani, Denis Bertin Polystyrene-block-poly(ethylene oxide)-blockpolystyrene : a New Synthesis Method using Nitroxide Mediated Polymerization from poly(ethylene oxide) Macroinitiators and Characterization of the Architecture formed, Macromolecules 41, 6942-6951 (2008).

2) J. Palmeri, N. Ben Amar, H.Saidani, A.Deratani, Process modeling of brackish and seawater nanofiltration, Desalination and Water Treatment 9, 263 (2009)

3) N. Destainville, M. Manghi, J. Palmeri, Microscopic mechanism for experimentally observed anomalous elasticity of DNA in 2D, Biophysical Journal 96, 4464 (2009)

4) S. Buyukdagli, M. Manghi, J. Palmeri, Variational approach for electrolyte systems : from dielectric interfaces to charged nanopores, Physical Review E 81, 041601 (2010)

5) S. Buyukdagli, M. Manghi, and J. Palmeri, Ionic Capillary Evaporation in Weakly Charged Nanopores, Phys. Rev. Lett. 105, 158103 (2010).

6) Hafedh Saidani, Nihel Ben Amar, J. Palmeri, Andre Deratani, Interplay between the Transport of Solutes Across Nanofiltration Membranes and the Thermal Properties of the Thin Active Layer, Langmuir 26, 2574 (2010)

7) Damien Quémener, Guilhem Bonniol, Trang N. T. Phan, Didier Gigmes, Denis Bertin, André Deratani, Free-Standing Nanomaterials from Block Copolymer Self-Assembly, Macromolecules 43, 5060-5065 (2010).

8) P.-A. Cazade,J. Dweik, B. Coasne, F. Henn, J. Palmeri, Molecular Simulation of Ion-Specific Effects in Confined Electrolyte Solutions Using Polarizable Force fields, J. Phys. Chem. C 114, 12245 (2010).

9) B. Coasne et al., Molecular simulation of nitrogen adsorption in nanoporous silica, Langmuir 26, 10872 (2010).

10) L. Bruschi et al., Capillary condensation and evaporation in ordered nanopores with controlled modulations, Langmuir 26, 11894 (2010).

11) D. Horlait et al., Zinc oxide nanostructures confined in carbon nanotubes, Mol. Sim. 36, 1045 (2010).

12) S. Buyukdagli, M. Manghi, J. Palmeri, Ionic exclusion phase transition in neutral and weakly charged cylindrical nanopores, J. Chem. Phys. 134, 074706 (2011)

13) B. Coasne, R. Metz, Mesoscopic Monte Carlo simulations of interfacial films in ZnO - Bi2O3 ceramics, J. Eur. Ceram. Soc. 31, 597 (2011).

14) B. Coasne et al. Adsorption, structure, and dynamics of benzene in ordered and disordered porous carbons, Phys. Chem. Chem. Phys. 13, 3748 (2011) .

15) P. Billemont, B. Coasne, G. De Weireld, An experimental and molecular simulation study of the adsorption of carbon dioxide and methane in nanoporous carbons in presence of water, Langmuir 27, 1015 (2011).

16) D. Quémener, A. Deratani, S. Lecommandoux, Dynamic assembly of block copolymers Topics in Current Chemistry Volume 322, 165-192 (2012)

17) J. Dweik, B. Coasne, J. Palmeri, P. Jouanna, P. Gouze, Inner and subsurface distribution of water and ions in weakly and highly hydrophilic uncharged nanoporous materials : a molecular dynamics study of a confined NaI electrolyte solution, Journal of Physical Chemistry C116, 726 (2012)

18) D. Quémener, et al., Membranes obtained using par micelles spherical micelles... in press, journal ?

19) L. Horvath, T. A. Beu, M. Manghi, J. Palmeri, The vapor-liquid interface potential of (multi)polar fluids and its influence on ion solvation, submitted (2012).

Proceedings/Abstracts/Conferences/Reports

1) J. Dweik , B. Coasne, F. Henn, J. Palmeri, et Molecular dynamics study of ion partioning and transport in nanoporous membranes. Engineering with Membranes 2008, Algarve, Portugal (25 mai 2008).
Contributed talk Fichier annexe : ANR-07-NANO-055-01-S1-A1.pdf
Conference Proceedings : Fichier annexe : ANR-07-NANO-055-01-S1-A4.pdf

2) J. Dweik , B. Coasne, F. Henn, J. Palmeri, Poster Ion transport at the water/air and water/nanopore interfaces. À la 7 Liquid Matter Conference, Lund, Sweden (27 Juin 2008) et à l’Ecole de Modélisation Moléculaire « NanoMemPro » (Patras, Grèce, 17-27 juin 2008)
Poster : Fichier annexe : ANR-07-NANO-055-01-S1-A2.pdf
Proceedings : Fichier annexe : ANR-07-NANO-055-01-S1-A5.pdf

3) B. Coasne, J.Palmeri, et al., Projet SIMONANOMEM, Journées Nationales en Nanosciences et Nanotechnologie (J3N), Grenoble, France, 20-22 October 2008. Poster

4) J. Palmeri, L. Schrive et A.Deratani, Modélisation des Procédés de Nanofiltration avec le Logiciel NanoFlux : Applications Nucléaires, Journées Thématiques `Membranes et Nucléaire’ - Club Français des Membranes (CFM), Marcoule, France, 15-16 janvier 2009.
Invited talk Fichier annexe : ANR-07-NANO-055-01-S2-A3.pdf

5) J. Palmeri, Brackish/Seawater Desalination using NF and RO Membranes : Transport Theory, Modelling, and Process Simulation, 4−day Invited Intensive Course, Middle East Desalination Research Center (MEDRC) (Casablanca, Morocco, 2−5 February 2009).

6) Rapport bibliographique sur l’état de l’art dans la Préparation de membranes modèles à pores cylindriques de taille nanométrique calibrée, collaboration CROPS + IEM (2009).

7) B. Coasne, Microscopic modelling of nanofiltration and chromatographic processes, Invited Course, Analytical and Separation Chemistry- 4th PRACTICAL SUMMER SCHOOL OF MARCOULE (CEA, France) 16-23 July 2009.

8) J. Dweik, B. Coasne, F. Henn, J. Palmeri, Study of ion transport through nanopores, Conference Euromembrane 2009, Montpellier, France (6-10 septembre 2009)
Contributed talk Fichier annexe : ANR-07-NANO-055-01-S3-A2.pdf

9) P. -A. Cazade, J. Dweik, B. Coasne, F. Henn, J. Palmeri, Confinement of electrolyte solutions in nanopores, 7 International Symposium Effects of Surface Heterogeneity in Adsorption and Catalysis on Solids, Kazimierz Dolny, Poland, 2009.
Contributed talk Fichier annexe : ANR-07-NANO-055-04-S3-A1.pdf

10) J.Palmeri, et al., Projet SIMONANOMEM, Journées Nationales en Nanosciences et Nanotechnologie (J3N), Toulouse, France, 21-23 October 2009. Poster

11) P. -A. Cazade, J. Dweik, B. Coasne, F. Henn, J. Palmeri, Dynamics of electrolyte solutions confined in nanopores, Diffusion Fundamentals III, Athens, Greece, 2009.
Poster Fichier annexe : ANR-07-NANO-055-04-S3-A2.pdf

12) P. -A. Cazade, J. Dweik, B. Coasne, F. Henn, J. Palmeri, Confinement d’une solution ionique dans une membrane de nanofiltration, Journées Simulation Numérique 2009, Paris, France, 2009.
Contributed talk Fichier annexe : ANR-07-NANO-055-04-S3-A3.pdf

13) Trang N. T. Phan, Denis Bertin, Didier Gigmes, Michael Robinet, Renaud Bouchet,Emily Bloch, Virginie Hornebecq, Philippe Llewellyn, Lara Perrin, Sarah Querelle, André Deratani : Poly(ethylene oxide) based block copolymers : synthesis, characterization and applications, International IUPAC Conferenceon Polymers and Organic Chemistry (POC ’09), July 5 - 9, 2009 Montréal, Canada.
Contributed talk Fichier annexe : ANR-07-NANO-055-03-S3-A1.pdf

14) J. Palmeri, et al., Cahier Numéro 3 de l’ANR "Calcul haute performance", Projet SIMONANOMEM Fichier annexe : ANR-07-NANO-055-01-S4-A3.pdf (January 2010)

15) P. -A. Cazade, J. Dweik, B. Coasne, F. Henn, J. Palmeri, Confinement of electrolyte solutions in charged nanopores, Dynamics in confinement, Grenoble, France, 2010.
Poster Fichier annexe : ANR-07-NANO-055-04-S4-A1.pdf

16) Sahin Buyukdagli, Manoel Manghi and John Palmeri, Variational method for electrolytes confined in slit and cylindrical Pores, International Soft Matter Conference 2010, 5-8 July 2010, Granada, Spain.
Poster Fichier annexe : ANR-07-NANO-055-01-S5-A5.pdf

17) P.-A. Cazade et al., Molecular simulation of ion-specific effects in confined electrolyte solutions using polarizable force fields, Frontiers in water biophysics, Trieste, Italy, 2010.
Poster Fichier annexe : ANR-07-NANO-055-04-S5-A5.pdf

18) Damien Quémener, Self-assembled block copolymer membranes, European Membrane Society XXVII Summer School, Bucarest, Romania, 14 - 19 Juin 2010. Invited Talk.

19) Sahin Buyukdagli, Ionic penetration into slit and cylindrical pores, invited seminar, Aalto University School of Science and Technology, Department of Applied Physics, Helsinki, Finland, "Multiscale Statistical Physics" group, 21 June 2010.

20) M. Manghi, Ionic exclusion and capillary evaporation in nanopores, invited seminar, Centre de Physique Moleculaire Optique et Hertzienne (CPMOH), University of Bordeaux, France, 21 September 2010.

21) J.Palmeri, A. Deratani, et al., Projet SIMONANOMEM, Journées Nationales en Nanosciences et Nanotechnologie (J3N), Lille 8-10 November 2010. Poster Fichier : SIMONANOMEM_PosterJ3N_2010_F.pdf

22) B. Coasne, Invited talk, « 32nd International Conference on Solution Chemistry » Grande Motte, France (28 August- 2 September 2011).

23) B. Coasne, Invited talk, Summer School "la Chimie Séparative", l’Institut de Chimie Séparative de Marcoule, France (17-22 juillet 2011).

24) Damien Quémener, Guilhem Bonniol, Trang N. T. Phan, Didier Gigmes, Denis Bertin, Andre Deratani, oral presentation, "Nanomatériaux poreux par auto-assemblage de copolymères à blocs" Matériaux 2010, Nantes, France, 18-22/10/2010.

25) J.Palmeri, et al., Invited talk Projet SIMONANOMEM, Journées Nationales en Nanosciences et Nanotechnologie (J3N), Strasbourg, 7-9 November 2011.

26) Damien Quémener , Guilhem Bonniol, Trang N. T. Phan, Didier Gigmes, Denis Bertin, André Deratani, oral presentation, "Porous nanomaterials from block copolymer self-assembly", AMS 6/IMSTEC 10, Sydney, Australia, 22-26/11/2010.

27) Damien Quemener, Guilhem Bonniol, Trang N.T. Phan, Didier Gigmes, Denis Bertin, Andre Deratani, oral presentation, , « Stimuli-responsive membranes from the self-assembly of block copolymers » International Conference on Organic Membranes 2011, Amsterdam, Pays Bas, 23-29/07/2011.

Ph.D. Theses

1) J. Dweik, Modélisation moléculaire du transfert membranaire, thèse de doctorat, soutenue le 19/12/08 à l’Université Montpellier 2 ; bourse MRT, Institut Européen des Membranes de Montpellier [P2] et Laboratoire de Physique Théorique [P1] (financed by the ANR for 3 months at the LPT [P1]) thesis director : J. Palmeri [P1], in close collaboration with P4 (ICGM, B. Coasne) and P2 (IEMM, A. Deratani)