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131

CV de Jean-François Dufrêche


Journal articles90 documents

  • Amaury Coste, Arnaud Poulesquen, Olivier Diat, Jean-Francois Dufrêche, Magali Duvail. Investigation of the Structure of Concentrated NaOH Aqueous Solutions by Combining Molecular Dynamics and Wide-Angle X-ray Scattering. Journal of Physical Chemistry B, American Chemical Society, 2019, 123 (24), pp.5121-5130. ⟨10.1021/acs.jpcb.9b00495⟩. ⟨hal-02171608⟩
  • Mario Špadina, Klemen Bohinc, Thomas Zemb, Jean-Francois Dufreche. Colloidal Model for the Prediction of the Extraction of Rare Earths Assisted by the Acidic Extractant. Langmuir, American Chemical Society, 2019, 35 (8), pp.3215-3230. ⟨10.1021/acs.langmuir.8b03846⟩. ⟨hal-02050534⟩
  • Arnaud Villard, Guillaume Toquer, Bertrand Siboulet, Philippe Trens, Agnès Grandjean, et al.. Sorption pH dependance of strontium/calcium by sodium nonatitanate. Chemosphere, Elsevier, 2018, 202, pp.33 - 39. ⟨10.1016/j.chemosphere.2018.02.017⟩. ⟨hal-01789826⟩
  • Michael Bley, Magali Duvail, Philippe Guilbaud, Jean-François Dufrêche. Activity Coefficients of Aqueous Sodium, Calcium, and Europium Nitrate Solutions from Osmotic Equilibrium MD Simulations. Journal of Physical Chemistry B, American Chemical Society, 2018, 122 (31), pp.7726-7736. ⟨10.1021/acs.jpcb.8b04950⟩. ⟨hal-01998392⟩
  • Mario Špadina, Simon Gourdin-Bertin, Goran Dražić, Atiđa Selmani, Jean-François Dufrêche, et al.. Charge Properties of TiO2 Nanotubes in NaNO3 Aqueous Solution. ACS Applied Materials & Interfaces, Washington, D.C. : American Chemical Society, 2018, 10 (15), pp.13130-13142. ⟨10.1021/acsami.7b18737⟩. ⟨hal-01999589⟩
  • Anwesa Karmakar, Magali Duvail, Michael Bley, Thomas Zemb, Jean-François Dufrêche. Combined supramolecular and mesoscale modelling of liquid–liquid extraction of rare earth salts. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Elsevier, 2018, 555, pp.713-727. ⟨10.1016/j.colsurfa.2018.07.013⟩. ⟨hal-01998379⟩
  • Remco Hartkamp, Anne-Laure Biance, Li Fu, Jean-François Dufrêche, Oriane Bonhomme, et al.. Measuring surface charge: Why experimental characterization and molecular modeling should be coupled. Current Opinion in Colloid and Interface Science, Elsevier, 2018, 37, pp.101 - 114. ⟨10.1016/j.cocis.2018.08.001⟩. ⟨hal-01909438⟩
  • Arnaud Villard, Olivier Bernard, Jean-François Dufrêche. Non-additivity of ionic radii in electrolyte solutions: Hofmeister effect on mixtures modeled by an Associated MSA model. Journal of Molecular Liquids, Elsevier, 2018, 270, pp.30-39. ⟨10.1016/j.molliq.2018.01.125⟩. ⟨hal-01949521⟩
  • Mario Špadina, Klemen Bohinc, Thomas Zemb, Jean-François Dufrêche. Multicomponent Model for the Prediction of Nuclear Waste/Rare-Earth Extraction Processes. Langmuir, American Chemical Society, 2018, 34 (35), pp.10434-10447. ⟨10.1021/ACS.LANGMUIR.8B01759⟩. ⟨hal-01998185⟩
  • Michael Bley, Magali Duvail, Philippe Guilbaud, Christophe Penisson, Johannes Theisen, et al.. Molecular simulation of binary phase diagrams from the osmotic equilibrium method: vapour pressure and activity in water–ethanol mixtures. Molecular Physics, Taylor & Francis, 2018, 116 (15-16), pp.2009-2021. ⟨10.1080/00268976.2018.1444209⟩. ⟨cea-01760168⟩
  • R. Sivakumarasamy, R. Hartkamp, B. Siboulet, J.-F. Dufrêche, K. Nishiguchi, et al.. Selective layer-free blood serum ionogram based on ion-specific interactions with a nanotransistor. Nature Materials, Nature Publishing Group, 2018, 17 (5), pp.464 - 470. ⟨10.1038/s41563-017-0016-y⟩. ⟨cea-01883606⟩
  • Michael Bley, Magali Duvail, Philippe Guilbaud, Jean-François Dufrêche. Simulating Osmotic Equilibria: A New Tool for Calculating Activity Coefficients in Concentrated Aqueous Salt Solutions. Journal of Physical Chemistry B, American Chemical Society, 2017, 121 (41), pp.9647-9658. ⟨10.1021/acs.jpcb.7b04011⟩. ⟨hal-01999620⟩
  • Yushu Chen, Magali Duvail, Philippe Guilbaud, Jean-François Dufrêche. Stability of reverse micelles in rare-earth separation: a chemical model based on a molecular approach. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017, 19 (10), pp.7094-7100. ⟨10.1039/C6CP07843E⟩. ⟨hal-02000040⟩
  • Thanh Tung Pham, Alban Jonchere, Jean-François Dufrêche, Pierre-Francois Brevet, Olivier Diat. Analysis of the second harmonic generation signal from a liquid/air and liquid/liquid interface. Journal of Chemical Physics, American Institute of Physics, 2017, 146 (14), pp.144701. ⟨10.1063/1.4979879⟩. ⟨hal-02000024⟩
  • Magali Duvail, Steven van Damme, Philippe Guilbaud, Yushu Chen, Thomas Zemb, et al.. The role of curvature effects in liquid–liquid extraction: assessing organic phase mesoscopic properties from MD simulations. Soft Matter, Royal Society of Chemistry, 2017, 13 (33), pp.5518-5526. ⟨10.1039/C7SM00733G⟩. ⟨hal-02000001⟩
  • J. Rey, M. Bley, J. Dufrêche, S. Gourdin, S. Pellet-Rostaing, et al.. Thermodynamic Description of Synergy in Solvent Extraction: II Thermodynamic Balance of Driving Forces Implied in Synergistic Extraction. Langmuir, American Chemical Society, 2017, 33 (46), pp.13168-13179. ⟨10.1021/acs.langmuir.7b02068⟩. ⟨hal-01999611⟩
  • Bertrand Siboulet, Sarah Hocine, Remco Hartkamp, Jean-François Dufrêche. Scrutinizing Electro-Osmosis and Surface Conductivity with Molecular Dynamics. Journal of Physical Chemistry C, American Chemical Society, 2017, 121 (12), pp.6756-6769. ⟨10.1021/acs.jpcc.7b00309⟩. ⟨hal-02000032⟩
  • Grégoire Allaire, Olivier Bernard, Jean-Francois Dufreche, Andro Mikelic. Ion transport through deformable porous media:derivation of the macroscopic equations using upscaling. Computational and Applied Mathematics, Springer Verlag, 2017, 36, pp.1431-1462. ⟨10.1007/s40314-016-0321-0⟩. ⟨hal-01278241⟩
  • Pauline Moeyaert, Thomas Dumas, Dominique Guillaumont, Kristina Kvashnina, Christian Sorel, et al.. Modeling and Speciation Study of Uranium(VI) and Technetium(VII) Coextraction with DEHiBA. Inorganic Chemistry, American Chemical Society, 2016, 55 (13), pp.6511-6519. ⟨10.1021/acs.inorgchem.6b00595⟩. ⟨hal-02000078⟩
  • Pauline Bacle,, Jean-Francois Dufreche, Benjamin Rotenberg, Ian C. Bourg, Virginie Marry. Modeling the transport of water and ionic tracers in a micrometric clay sample. Applied Clay Science, Elsevier, 2016, 123, pp.18--28. ⟨10.1016/j.clay.2015.12.014⟩. ⟨hal-01484130⟩
  • J. Rey, Sandrine Dourdain, J. Dufrêche, L. Berthon, J. Muller, et al.. Thermodynamic Description of Synergy in Solvent Extraction: I. Enthalpy of Mixing at the Origin of Synergistic Aggregation. Langmuir, American Chemical Society, 2016, 32 (49), pp.13095-13105. ⟨10.1021/acs.langmuir.6b02343⟩. ⟨hal-02000053⟩
  • Sarah Hocine, Remco Hartkamp, Bertrand Siboulet, Magali Duvail, Benoît Coasne, et al.. How Ion Condensation Occurs at a Charged Surface: A Molecular Dynamics Investigation of the Stern Layer for Water–Silica Interfaces. Journal of Physical Chemistry C, American Chemical Society, 2016, 120 (2), pp.963-973. ⟨10.1021/acs.jpcc.5b08836⟩. ⟨hal-02000098⟩
  • Ernesto Scoppola, Erik Watkins, Richard Campbell, Oleg Konovalov, Luc Girard, et al.. Solvent Extraction: Structure of the Liquid-Liquid Interface Containing a Diamide Ligand. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2016, 55 (32), pp.9326-9330. ⟨10.1002/anie.201603395⟩. ⟨hal-02000071⟩
  • Michael Bley, Bertrand Siboulet, Anwesa Karmakar, Thomas Zemb, Jean-François Dufrêche. A predictive model of reverse micelles solubilizing water for solvent extraction. Journal of Colloid and Interface Science, Elsevier, 2016, 479, pp.106-114. ⟨10.1016/j.jcis.2016.06.044⟩. ⟨hal-02000058⟩
  • P. Moeyaert, L. Abiad, C. Sorel, J.-F. Dufreche, A. Ruas, et al.. Density and activity of pertechnetic acid aqueous solutions at T = 298.15 K. The Journal of Chemical Thermodynamics, 2015, 91, pp.94-100. ⟨10.1016/j.jct.2015.07.006⟩. ⟨hal-02000113⟩
  • Magali Duvail, Arnaud Villard, Thanh-Nghi Nguyen, Jean-François Dufrêche. Thermodynamics of Associated Electrolytes in Water: Molecular Dynamics Simulations of Sulfate Solutions. Journal of Physical Chemistry B, American Chemical Society, 2015, 119 (34), pp.11184-11195. ⟨10.1021/acs.jpcb.5b03088⟩. ⟨hal-02000133⟩
  • Remco Hartkamp, Bertrand Siboulet, Jean-François Dufrêche, Benoît Coasne. Ion-specific adsorption and electroosmosis in charged amorphous porous silica. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 17 (38), pp.24683-24695. ⟨10.1039/C5CP03818A⟩. ⟨hal-02000123⟩
  • Arnaud Villard, Bertrand Siboulet, Guillaume Toquer, Aurélie Merceille, Agnès Grandjean, et al.. Strontium selectivity in sodium nonatitanate Na4Ti9O20·xH2O. Journal of Hazardous Materials, Elsevier, 2015, 283, pp.432-438. ⟨10.1016/j.jhazmat.2014.09.039⟩. ⟨hal-02000305⟩
  • Thomas Zemb, Caroline Bauer, Pierre Bauduin, Luc Belloni, Christophe Dejugnat, et al.. Recycling metals by controlled transfer of ionic species between complex fluids: en route to “ienaics”. Colloid and Polymer Science, Springer Verlag, 2015, 293 (1), pp.1-22. ⟨10.1007/s00396-014-3447-x⟩. ⟨hal-01187792⟩
  • Thanh-Nghi Nguyen, Magali Duvail, Arnaud Villard, John Jairo Molina, Philippe Guilbaud, et al.. Multi-scale modelling of uranyl chloride solutions. Journal of Chemical Physics, American Institute of Physics, 2015, 142 (2), pp.024501. ⟨10.1063/1.4905008⟩. ⟨hal-02000182⟩
  • J.-F. Dufreche, Th. Zemb. Effect of long-range interactions on ion equilibria in liquid–liquid extraction. Chemical Physics Letters, Elsevier, 2015, 622, pp.45-49. ⟨10.1016/j.cplett.2014.11.028⟩. ⟨hal-02000234⟩
  • Grégoire Allaire, Robert Brizzi, Jean-Francois Dufreche, Andro Mikelic, Andrey Piatnitski. Role of non-ideality for the ion transport in porous media: derivation of the macroscopic equations using upscaling. Physica D: Nonlinear Phenomena, Elsevier, 2014, 282, pp.39-60. ⟨10.1016/j.physd.2014.05.007⟩. ⟨hal-00863442⟩
  • Christophe Déjugnat, Sandrine Dourdain, Véronique Dubois, Laurence Berthon, Stéphane Pellet-Rostaing, et al.. Reverse aggregate nucleation induced by acids in liquid–liquid extraction processes. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16 (16), pp.7339. ⟨10.1039/C4CP00073K⟩. ⟨hal-01999325⟩
  • Ivan T. Lucas, S. Durand-Vidal, Olivier Bernard, V. Dahirel, E. Dubois, et al.. Influence of the volume fraction on the electrokinetic properties of maghemite nanoparticles in suspension. Molecular Physics: An International Journal at the Interface between Chemistry and Physics, Taylor & Francis, 2014, 112 (9-10), pp.1463-1471. ⟨10.1080/00268976.2014.906672⟩. ⟨hal-01083559⟩
  • Magali Duvail, Lise Arleth, Thomas Zemb, Jean-François Dufrêche. Predicting for thermodynamic instabilities in water/oil/surfactant microemulsions: A mesoscopic modelling approach. Journal of Chemical Physics, American Institute of Physics, 2014, 140 (16), pp.164711. ⟨10.1063/1.4873357⟩. ⟨hal-02001423⟩
  • Sandrine Dourdain, Christophe Déjugnat, Laurence Berthon, Véronique Dubois, Stéphane Pellet-Rostaing, et al.. Liquid-Liquid Extraction of Acids by a Malonamide: II-Anion Specific Effects in the Aggregate-Enhanced Extraction Isotherms. Solvent Extraction and Ion Exchange, Taylor & Francis, 2014, 32 (6), pp.620-636. ⟨10.1080/07366299.2014.924311⟩. ⟨hal-01999333⟩
  • Dufrêche J-F, Duvail M., Siboulet B., Jardat M., Bernard O.. Modelling of mutual diffusion for associated electrolytes solution: ZnSO4 and MgSO4 aqueous solutions. Molecular Physics, Taylor & Francis, 2014, 112 (9-10), pp.1405 - 1417. ⟨10.1080/00268976.2014.903306⟩. ⟨hal-01472416⟩
  • Bernard Ancian, Olivier Bernard, Jean Chevalet, Vincent Dahirel, Didier Devilliers, et al.. Pierre Turq, an inspirational scientist in charge and at interfaces. Molecular Physics, Taylor & Francis, 2014, 112 (9-10), pp.1213--1221. ⟨10.1080/00268976.2014.885094⟩. ⟨hal-01484053⟩
  • Klemen Bohinc, Jurij Reščič, Jean-François Dufrêche, Leo Lue. Recycling of Uranyl from Contaminated Water. Journal of Physical Chemistry B, American Chemical Society, 2013, 117 (37), pp.10846-10851. ⟨10.1021/jp404822f⟩. ⟨hal-02001883⟩
  • Wolfram Müller, Christophe Déjugnat, Thomas Zemb, Jean-François Dufrêche, Olivier Diat. How Do Anions Affect Self-Assembly and Solubility of Cetylpyridinium Surfactants in Water. Journal of Physical Chemistry B, American Chemical Society, 2013, 117 (5), pp.1345-1356. ⟨10.1021/jp3093622⟩. ⟨hal-02002016⟩
  • Grégoire Allaire, Jean-Francois Dufreche, Andro Mikelic, Andrey Piatnitski. Asymptotic analysis of the Poisson-Boltzmann equation describing electrokinetics in porous media. Nonlinearity, IOP Publishing, 2013, 26, pp.881--910. ⟨10.1088/0951-7715/26/3/881⟩. ⟨hal-00863403⟩
  • Magali Duvail, Jean-François Dufrêche, Lise Arleth, Thomas Zemb. Mesoscopic modelling of frustration in microemulsions. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2013, 15 (19), pp.7133. ⟨10.1039/C3CP43981J⟩. ⟨hal-02001920⟩
  • Thomas Zemb, Magali Duvail, Jean-François Dufrêche. Reverse Aggregates as Adaptive Self-Assembled Systems for Selective Liquid-Liquid Cation Extraction. Israel Journal of Chemistry, Wiley-VCH Verlag, 2013, 53 (1-2), pp.108-112. ⟨10.1002/ijch.201200091⟩. ⟨hal-02000312⟩
  • Pierre-Marie Gassin, Romain Champory, Gaelle Martin-Gassin, Jean-Francois Dufreche, Olivier Diat. Surfactant transfer across a water/oil interface: A diffusion/kinetics model for the interfacial tension evolution. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Elsevier, 2013, 436, pp.1103. ⟨10.1016/j.colsurfa.2013.08.053⟩. ⟨hal-00924397⟩
  • Grégoire Allaire, Robert Brizzi, Jean-François Dufrêche, Andro Mikelic, Andrey Piatnitski. Ion transport in porous media: derivation of the macroscopic equations using up-scaling and properties of the effective coefficients. Computational Geosciences, Springer Verlag, 2013, 17 (3), pp.479-496. ⟨10.1007/s10596-013-9342-6⟩. ⟨hal-00863401⟩
  • B. Siboulet, J. Molina, B. Coasne, P. Turq, J. Dufrêche. Water self-diffusion at the surface of silica glasses: effect of hydrophilic to hydrophobic transition. Molecular Physics, Taylor & Francis, 2013, 111 (22-23), pp.3410-3417. ⟨10.1080/00268976.2013.861084⟩. ⟨hal-02001440⟩
  • N. Clement, K. Nishiguchi, J.F. Dufreche, D. Guerin, A. Fujiwara, et al.. Water electrolysis and energy harvesting with zero-dimensional ion-sensitive field-effect transistors. Nano Letters, American Chemical Society, 2013, 13 (8), pp.3903-3908. ⟨10.1021/nl4019879⟩. ⟨hal-00871930⟩
  • Abdoul Aziz Ndiaye, Rachel Pflieger, Bertrand Siboulet, John Molina, Jean-François Dufrêche, et al.. Nonequilibrium Vibrational Excitation of OH Radicals Generated During Multibubble Cavitation in Water. Journal of Physical Chemistry A, American Chemical Society, 2012, 116 (20), pp.4860-4867. ⟨10.1021/jp301989b⟩. ⟨hal-02002133⟩
  • Sandrine Dourdain, I. Hofmeister, O. Pecheur, J-F. Dufrêche, R. Turgis, et al.. Synergism by Coassembly at the Origin of Ion Selectivity in Liquid–Liquid Extraction. Langmuir, American Chemical Society, 2012, 28 (31), pp.11319-11328. ⟨10.1021/la301733r⟩. ⟨hal-01999341⟩
  • Pierre-Marie Gassin, Gaelle Martin-Gassin, Daniel Meyer, J.F. Dufreche, Olivier Diat. Kinetics of Triton-X100 transfer across the water/dodecane interface: analysis of the interfacial tension variation. Journal of Physical Chemistry C, American Chemical Society, 2012, 116 (24), pp.13152-13160. ⟨10.1021/jp302514k⟩. ⟨hal-00747016⟩
  • C. Bauer, P. Bauduin, J.F. Dufrêche, T. Zemb, O. Diat. Liquid/liquid metal extraction: Phase diagram topology resulting from molecular interactions between extractant, ion, oil and water. European Physical Journal - Special Topics, EDP Sciences, 2012, 213 (1), pp.225-241. ⟨10.1140/epjst/e2012-01673-4⟩. ⟨hal-02002038⟩
  • John Jairo Molina, Magali Duvail, Jean-François Dufrêche, Philippe Guilbaud. Atomistic Description of Binary Lanthanoid Salt Solutions: A Coarse-Graining Approach. Journal of Physical Chemistry B, American Chemical Society, 2011, 115 (15), pp.4329-4340. ⟨10.1021/jp1110168⟩. ⟨hal-02002579⟩
  • Bertrand Siboulet, Benoit Coasne, Jean-Francois Dufreche, Pierre Turq. Hydrophobic Transition in Porous Amorphous Silica. Journal of Physical Chemistry B, American Chemical Society, 2011, 115, pp.7881-7886. ⟨10.1021/jp203193k⟩. ⟨hal-00644778⟩
  • Christophe Déjugnat, Jean-François Dufrêche, Thomas Zemb. Ion-specific weak adsorption of salts and water/octanol transfer free energy of a model amphiphilic hexapeptide. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2011, 13 (15), pp.6914. ⟨10.1039/c0cp01750g⟩. ⟨hal-02002588⟩
  • John Molina, Jean-François Dufrêche, Mathieu Salanne, Olivier Bernard, Pierre Turq. Primitive models of ions in solution from molecular descriptions: A perturbation approach. Journal of Chemical Physics, American Institute of Physics, 2011, 135 (23), pp.234509. ⟨10.1063/1.3668098⟩. ⟨hal-02002570⟩
  • J.J. Molina, S. Lectez, S. Tazi, M. Salanne, J. F. Dufrêche, et al.. Ions in solutions: Determining their polarizabilities from first-principles. Journal of Chemical Physics, American Institute of Physics, 2011, 134, pp.3518101. ⟨10.1063/1.3518101⟩. ⟨in2p3-00575117⟩
  • N. Clement, K. Nishiguchi, J.F. Dufreche, D. Guerin, A. Fujiwara, et al.. A silicon nanowire ion-sensitive field-effect-transistor with elementary charge sensitivity. Applied Physics Letters, American Institute of Physics, 2011, 98, pp.014104-3. ⟨10.1063/1.3535958⟩. ⟨hal-00572646⟩
  • John Jairo Molina, Magali Duvail, Philippe Guilbaud, Jean-François Dufrêche. Coarse-grained lanthanoid chloride aqueous solutions. Journal of Molecular Liquids, Elsevier, 2010, 153 (2-3), pp.107-111. ⟨10.1016/j.molliq.2010.01.007⟩. ⟨hal-02002610⟩
  • Jean-François Dufrêche, Benjamin Rotenberg, Virginie Marry, Pierre Turq. Bridging molecular and continuous descriptions: the case of dynamics in clays. Anais da Academia Brasileira de Ciências, Academia Brasileira de Ciências, 2010, 82 (1), pp.61-68. ⟨10.1590/S0001-37652010000100006⟩. ⟨hal-02002618⟩
  • Marie Jardat, Jean-Francois Dufreche, Virginie Marry, Benjamin Rotenberg, Pierre Turq. Salt exclusion in charged porous media: a coarse-graining strategy in the case of montmorillonite clays. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2009, 11 (12), ⟨10.1039/B818055E⟩. ⟨hal-01917646⟩
  • Marie Jardat, Jean-François Dufrêche, Virginie Marry, Benjamin Rotenberg, Pierre Turq. Salt exclusion in charged porous media: a coarse-graining strategy in the case of montmorillonite clays. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2009, 11, pp.2023. ⟨10.1039/b818055e⟩. ⟨hal-00369647⟩
  • John Jairo Molina, Jean-François Dufrêche, Mathieu Salanne, Olivier Bernard, Marie Jardat, et al.. Models of electrolyte solutions from molecular descriptions: The example of NaCl solutions. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2009, 80 (6), pp.065103. ⟨10.1103/PhysRevE.80.065103⟩. ⟨hal-02002625⟩
  • Ali Abou Hassan, Jean-François Dufrêche, Olivier Sandre, Guillaume Mériguet, Olivier Bernard, et al.. Fluorescence confocal scanning microscopy for pH mapping in a coaxial flow microreactor: application in the synthesis of superparamagnetic nanoparticles. Journal of Physical Chemistry C, American Chemical Society, 2009, 113 (42), pp.18097-18105. ⟨10.1021/jp9069459⟩. ⟨hal-00428983⟩
  • Benjamin Rotenberg, Virginie Marry, Jean-François Dufrêche, Natalie Malikova, Eric Giffaut, et al.. Modeling water and ion diffusion in clays : A multiscale approach. Comptes Rendus Chimie, Elsevier Masson, 2007, 10, pp.1108. ⟨10.1016/j.crci.2007.02.009⟩. ⟨hal-00369632⟩
  • Vincent Dahirel, Marie Jardat, Jean-François Dufrêche, Pierre Turq. Toward the description of electrostatic interactions between globular proteins: Potential of mean force in the primitive model. Journal of Chemical Physics, American Institute of Physics, 2007, 127, pp.095101. ⟨10.1063/1.2767626⟩. ⟨hal-00164769⟩
  • Vincent Dahirel, Marie Jardat, Jean-François Dufrêche, Pierre Turq. New coarse-graining procedure for the dynamics of charged spherical nanoparticles in solution. Journal of Chemical Physics, American Institute of Physics, 2007, 126, pp.114108. ⟨10.1063/1.2710254⟩. ⟨hal-00143417⟩
  • Benjamin Rotenberg, Virginie Marry, Jean-Francois Dufreche, Eric Giffaut, Pierre Turq. A multiscale approach to ion diffusion in clays: Building a two-state diffusion–reaction scheme from microscopic dynamics. Journal of Colloid and Interface Science, Elsevier, 2007, Elkin 06, International Electrokinetics Conference, June 25-29, Nancy, France, 309 (2), pp.289 - 295. ⟨10.1016/j.jcis.2007.01.090⟩. ⟨hal-01917520⟩
  • Benjamin Rotenberg, Virginie Marry, Jean-François Dufrêche, Eric Giffaut, Pierre Turq. A multiscale approach to ion diffusion in clays: Building a two-state diffusion-reaction scheme from microscopic dynamics. Journal of Colloid and Interface Science, Elsevier, 2007, 309 (2), pp.289-295. ⟨hal-00168697⟩
  • Steven van Damme, Johan Deconinck, Jean-François Dufrêche. Influence of Ion Properties on the Equilibrium and Transport Properties of Electrolyte Solutions. Journal of Physical Chemistry B, American Chemical Society, 2006, 110, pp.1015-1019. ⟨hal-00173640⟩
  • Benjamin Rotenberg, J.-F Dufrêche, B. Bagchi, E. Giffaut, J.-P Hansen, et al.. Ion dynamics in compacted clays: Derivation of a two-state diffusion-reaction scheme from the lattice Fokker-Planck equation. Journal of Chemical Physics, American Institute of Physics, 2006, 124 (15), pp.154701. ⟨10.1063/1.2194014⟩. ⟨hal-01897033⟩
  • Alexandre Ruas, Philippe Moisy, Jean-Pierre Simonin, Olivier Bernard, Jean-François Dufrêche, et al.. Lanthanide Salts Solutions: Representation of Osmotic Coefficients within the Binding Mean Spherical Approximation.. Journal of Physical Chemistry B, American Chemical Society, 2005, 109, pp.5243-5248. ⟨hal-00164780⟩
  • Jean-François Dufrêche, Olivier Bernard, Serge Durand-Vidal, Pierre Turq. Analytical Theories of Transport in Concentrated Electrolyte Solutions from the MSA.. Journal of Physical Chemistry B, American Chemical Society, 2005, 109, pp.9873-9884. ⟨hal-00164731⟩
  • A. Ruas, P. Moisy, J.-P. Simonin, Olivier Bernard, J.-F. Dufrêche, et al.. Lanthanide Salts Solutions: Representation of Osmotic Coefficients within the Binding Mean Spherical Approximation.. Journal of Physical Chemistry B, American Chemical Society, 2005, 109, pp.5243-5248. ⟨hal-00162126⟩
  • Benjamin Rotenberg, Anthony Cadene, Jean-Francois Dufreche, Serge Durand-Vidal, Jean-Claude Badot, et al.. An Analytical Model for Probing Ion Dynamics in Clays with Broadband Dielectric Spectroscopy. Journal of Physical Chemistry B, American Chemical Society, 2005, 109, pp.15548-15557. ⟨10.1021/jp051586k⟩. ⟨hal-00166966⟩
  • Benjamin Rotenberg, Jean-François Dufrêche, Pierre Turq. Frequency-dependent dielectric permittivity of salt-free charged lamellar systems. Journal of Chemical Physics, American Institute of Physics, 2005, 123, pp.154902. ⟨hal-00016443⟩
  • Jean-François Dufrêche, Olivier Bernard, Pierre Turq. Transport in electrolyte solutions: are ions Brownian particles?. Journal of Molecular Liquids, Elsevier, 2005, pp.189-194. ⟨hal-00164733⟩
  • Jean-François Dufrêche, Virginie Marry, Natalie Malikova, Pierre Turq. Molecular hydrodynamics for electro-osmosis in clays: from Kubo to Smoluchowski. Journal of Molecular Liquids, Elsevier, 2005, 118 (1-3), 145-153 Sp. Iss. SI. ⟨hal-00168683⟩
  • Benjamin Rotenberg, A. Cadene, J.F. Dufreche, S. Durand-Vidal, J.C. Badot, et al.. An analytical model for probing ion dynamics in clasys with broadband dielectric spectroscopy. The Journal of physical chemistry, American Chemical Society (ACS), 2005, B 109, pp.15548-15557. ⟨10.1021⟩. ⟨hal-00014427⟩
  • Marius Chemla, Jean-François Dufrêche, Isabelle Darolles, François Rouelle, Didier Devilliers, et al.. Bias voltage dependent electrochemical impedance spectroscopy of p- and n-type silicon substrates. Electrochimica Acta, Elsevier, 2005, 51, pp.665. ⟨hal-00016442⟩
  • Natalie Malikova, Virginie Marry, Jean-François Dufrêche, Pierre Turq. Na/Cs montmorillonite: temperature activation of diffusion by simulation. Current Opinion in Colloid and Interface Science, Elsevier, 2004, 9 (1-2), pp.124-127. ⟨hal-00168701⟩
  • Natalie Malikova, Virginie Marry, Jean-François Dufrêche, Christian Simon, Pierre Turq, et al.. Temperature effect in a montmorillonite clay at low hydration-microscopic simulation. Molecular Physics, Taylor & Francis, 2004, 102 (18), pp.1965-1977. ⟨hal-00168699⟩
  • V. Marry, J.F. Dufrêche, Marie Jardat, G. Meriguet, P. Turq, et al.. Dynamics and transport in charged porous media. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Elsevier, 2003, 222, pp.147. ⟨10.1016/S0927-7757(03)00251-6⟩. ⟨hal-00143692⟩
  • Jean-François Dufrêche, Olivier Bernard, Marie Jardat, Pierre Turq. Response to "Comment on 'Transport equations for concentrated electrolyte solutions: Reference frame, mutual diffusion' ".. Journal of Chemical Physics, American Institute of Physics, 2003, 118, pp.8116-8117. ⟨hal-00164746⟩
  • V. Marry, J.-F. Dufrêche, Marie Jardat, P. Turq. Equilibrium and electrokinetic phenomena in charged porous media from microscopic and mesoscopic models: electro-osmosis in montmorillonite. Molecular Physics, Taylor & Francis, 2003, 101, pp.3111. ⟨10.1080/00268970310001626432⟩. ⟨hal-00143676⟩
  • Jean-François Dufrêche, Marie Jardat, T. Olynyk, Olivier Bernard, Pierre Turq. Mutual diffusion coefficient of charged particles in the solvent -fixed frame of reference from Brownian dynamics simulation.. Journal of Chemical Physics, American Institute of Physics, 2002, pp.3804-3810. ⟨hal-00164757⟩
  • Jean-François Dufrêche, Olivier Bernard, Pierre Turq. Mutual diffusion coefficients in concentrated electrolyte solutions.. Journal of Molecular Liquids, Elsevier, 2002, 96-97, pp.123-133. ⟨hal-00164812⟩
  • Jean-François Dufrêche, Olivier Bernard, Pierre Turq. Transport equations for concentrated electrolyte solutions: Reference frame, mutual diffusion.. Journal of Chemical Physics, American Institute of Physics, 2002, 116, pp.2085-2097. ⟨hal-00164808⟩
  • Jean-François Dufrêche, Olivier Bernard, Pierre Turq, A. Mukhetjee, Biman Bagchi. Ionic self-diffusion coefficients in concentrated electrolyte solutions.. Physical Review Letters, American Physical Society, 2002, 88, pp.095902-1. ⟨hal-00164811⟩
  • Jean-François Dufrêche, Virginie Marry, Olivier Bernard, Pierre Turq. Model for electrokinetic phenomena in montmorillonite.. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Elsevier, 2001, 195, pp.171-180. ⟨hal-00164815⟩
  • J.F. Dufrêche, J.P. Simonin, P. Turq. Sedimentation of Charged Colloids in the Gravitational Field: Relaxation toward Equilibrium.. Journal of Molecular Liquids, Elsevier, 1999, 79, pp.137-149. ⟨hal-00162409⟩

Conference papers35 documents

  • Magali Duvail, Philippe Guilbaud, Michael Bley, Steven van Damme, Yushu S. Chen, et al.. Phenomena associated to the transfer of rare earths involved in separation chemistry: from the molecular modelling to chemical engineering. International Conference on Science, Technology and Applications of Rare Earths (ICSTAR-2018), Sep 2018, Tirupati, India. ⟨hal-02004068⟩
  • Amaury Coste, Arnaud Poulesquen, Jean-Francois Dufreche, Magali Duvail. Role of alkali cation in early stage of oligomerization in silicate fluids: a molecular dynamics study. Interfaces Against Pollution (IAP 2018), Jun 2018, La Grande Motte, France. ⟨hal-01999458⟩
  • Amaury Coste, Arnaud Poulesquen, Jean-Francois Dufrêche, Magali Duvail. Role of alkali cation in early stage of oligomerization in silicate fluids: a molecular dynamics study.. Interfaces Against Pollution 2018, Jun 2018, La Grande Motte, France. ⟨hal-02276181⟩
  • Jean Christophe Gabriel, Johannes Theisen, Wilk Andreas, Kokoric Vjekoslav, Julien Rey, et al.. Mini-fluidics to determine selectivity in free energy of ion phase transfer liquid-liquid confronted to parameter-free theories. 6th International Colloids Conference, Jun 2016, Berlin, Germany. ⟨cea-01555759⟩
  • Johannes Theisen, Julien Rey, Christophe Penisson, Jean Duhamet, Véronique Dubois, et al.. A high throughput method to determine selectivity of ion phase transfer in multi- component chemical systems: towards predictive modelling of extraction. PACIFICHEM, Nov 2015, Honolulu, Hawai, United States. ⟨cea-01555685⟩
  • J. Theisen, J. Rey, C. Penisson, A. Wilk, V. Kokoric, et al.. An instrumented microfluidic tool for complex fluid phase diagram determination: Enabling in-line and real-time screening of solvent extraction processes. IFP Energie Nouvelles 2015, Nov 2015, Rueil-Malmaison, France. ⟨cea-01555693⟩
  • Nicolas Clément, K. Nishiguchi, J.F. Dufrêche, David Guérin, A. Fujiwara, et al.. [Invited] Water electrolysis and energy harvesting with 0D ion-sensitive field-effect transistors. 1st International Symposium on Energy Challenges and Mechanics, ECM1, 2014, Aberdeen, Scotland, United Kingdom. ⟨hal-01055001⟩
  • N. Clement, K. Nishiguchi, J.F. Dufreche, D. Guerin, G. Patriarche, et al.. Transducing energy loss in water electrolysis with a 0D ion-sensitive field-effect transistor. American Physical Society March Meeting, APS March Meeting 2013, 2013, Baltimore, MD, United States. ⟨hal-00811785⟩
  • N. Clement, K. Nishiguchi, J.F. Dufreche, D. Guerin, A. Fujiwara, et al.. One-by-one H2 bubble counting during water electrolysis with a chemical electrometer. Materials Research Society Spring Meeting, MRS Spring 2012, Symposium AA : Inorganic Nanowires and Nanotubes - Synthesis, Properties, and Device Applications, 2012, San Francisco, CA, United States. ⟨hal-00797684⟩
  • P. Turq, V. Marry, E. Dubois, J.-F. Dufrêche, S. Durand-Vidal, et al.. Dynamics in clays. IUTAM Symposium Swelling and shrinking of porous materials, Aug 2007, Petropolis, Brazil. ⟨hal-00169797⟩
  • Marie Jardat, V. Dahirel, J.-F. Dufrêche, P. Turq. New coarse-graining procedure for the dynamics of charged nanoparticles in solution. SoCoBiM 2007: Soft, Complex, and Biological Matter Conference, Satellite Conference of IUPAP Statphys 23, Jul 2007, Terrasini, Italy. ⟨hal-00167531⟩
  • P. Turq, V. Dahirel, Marie Jardat, J.-F. Dufrêche. Mesoscopic study of nanocolloidal suspensions: a two-scales modelling of microions. 30th ICSC Conference, Jul 2007, Perth, Australia. ⟨hal-00169799⟩
  • Jean-François Dufrêche, Virginie Marry, Benjamin Rotenberg, Pierre Turq, Jean-Pierre Hansen, et al.. Coarse-Graning for Montmorillonite Clay. IUTAM Symposium on Swelling and Shrinking of Porous Materials: From Colloid Science to Poro-Mechanics, Aug 2007, Petropolis, Brazil. pp.0. ⟨hal-00173447⟩
  • Benjamin Rotenberg, Virginie Marry, Rodolphe Vuilleumier, Natalie Malikova, Jean-François Dufrêche, et al.. Interlayer/micropore Exchange of water and ions in clays: A molecular dynamics study. journées du GDR Paris, Mar 2007, Avignon, France. ⟨hal-00173467⟩
  • Benjamin Rotenberg, Jean-François Dufrêche, Virginie Marry, Eric Giffaut, Biman Bagchi, et al.. Ions at clay particle surfaces and ionic exchange: a molecular dynamics study. Mobile Fission and Activation Products in Nuclear Waste Disposal, international OECD/NEA workshop, Jan 2007, La Baule, France. ⟨hal-00173427⟩
  • Jean-François Dufrêche, Olivier Bernard, Pierre Turq, Biman Bagchi. Dynamics of Ions in Concentrated Electrolyte Solutions. 30th International Conference on Solution Chemistry, Jul 2007, Perth, Australia. ⟨hal-00173451⟩
  • Benjamin Rotenberg, Virginie Marry, Natalie Malikova, Jean-François Dufrêche, Pierre Turq. Transport dans les argiles: de la modélisation microscopique au processus de diffusion. journées du GDR Paris, Mar 2006, Avignon, France. ⟨hal-00173472⟩
  • Pierre Turq, Jean-François Dufrêche, Olivier Bernard, Serge Durand-Vidal, Marie Jardat. Apparent charge in colloids, electrolytes and polyelectrolytes.. International conference on electrokinetic phenomena. ELKIN 2006, Jun 2006, Nancy, France. ⟨hal-00173311⟩
  • Olivier Bernard, Jean-François Dufrêche, Serge Durand-Vidal, Pierre Turq. Analytical theories of transport in concentrated electrolyte solutions from the MSA.. 29th International Conference on Solution Chemistry, Aug 2005, Portoroz, Slovenia. ⟨hal-00173303⟩
  • I. Darolles, M. Chemla, D. Devilliers, J.-F. Dufreche. Etude d'électrodes p-Si et n-Si dans HF dilué par spectroscopie d'impédance électrochimique. Journées d'électrochimie 2005, Jul 2005, Saint Malo, France. pp.28. ⟨hal-00173346⟩
  • Serge Durand-Vidal, Emmanuelle Dubois, Katy Perrigaud, Ivan Lucas, Gaelle Roger, et al.. On the use of the Mean Spherical Approximation to describe conductivity and acoustophoresis in aqueous media. I Determination of the association constant of multivalent salts. II Determination of the effective charge of nanoparticles.. On the use of the Mean Spherical Approximation to describe conductivity and acoustophoresis in aqueous media. I Determination of the association constant of multivalent salts. II Determination of the effective charge of nanoparticles., Aug 2005, Portoroz, Slovenia. ⟨hal-00173066⟩
  • P. Turq, Olivier Bernard, A. Cadène, J.-F. Dufrêche, S. Durand-Vidal, et al.. Multiscale Dynamics in Ionic Media. 29th International Conference on Solution Chemistry, Aug 2005, Portoroz, Slovenia. ⟨hal-00173049⟩
  • Natalie Malikova, Virginie Marry, Jean-François Dufrêche, Pierre Turq. Dynamics in clays. Conference on Computational Physics 2004, Sep 2004, Gennes, Italy. ⟨hal-00173476⟩
  • Jean-François Dufrêche, Natalie Malikova, Virginie Marry, Frédéric Grün, Marie Jardat, et al.. Molecular hydrodynamics: from Kubo to Smoluchowski, Example of a Montmorillonite Clay. Slow Dynamics in Complex Systems: 3rd International Symposium, Nov 2003, Sendai, Japan. pp.468. ⟨hal-00173396⟩
  • Natalie Malikova, Virginie Marry, Jean-François Dufrêche, Pierre Turq. Microscopic simulation of montmorillonite by Monte Carlo and molecular dynamics. Euroclay 2003 Conference, Jun 2003, Modène, Italy. ⟨hal-00173452⟩
  • Pierre Turq, Jean-François Dufrêche, Olivier Bernard, Virginie Marry, Marie Jardat. Thermodynamique et transport des ions et du solvant en solution et en milieu confiné. Journées d'Électrochimie 2003, Jun 2003, Poitiers, France. ⟨hal-00173454⟩
  • Natalie Malikova, Virginie Marry, Christian Simon, Jean-François Dufrêche, Pierre Turq. Microscopic simulation of montmorillonite. 2ème Colloque du Groupe Français des Argiles : Recherche académique et développements industriels, Apr 2003, Orléans, France. ⟨hal-00173455⟩
  • Pierre Turq, Jean-François Dufrêche, Virginie Marry. Hydrodynamique moléculaire dans les milieux poreux chargés : De Kubo à Smoluchowski. Journées MOMAS Modélisation micro-macro des phénomènes couplés de transport-chimie-déformation en milieux argileux, Jan 2003, Nancy, France. ⟨hal-00173457⟩
  • Pierre Turq, Marie Jardat, Olivier Bernard, Jean-François Dufrêche, Virginie Marry. Dynamics and transport in charged porous media. Congrès ELKIN 2000, Oct 2002, Cracovie, Poland. ⟨hal-00173458⟩
  • Pierre Turq, Virginie Marry, Jean-François Dufrêche, Olivier Bernard. Transport of water and counterions in montmorillonite. workshop CECAM "Chemical potential, solubility and speciation in ionic solutions", Oct 2001, Lyon, France. ⟨hal-00173479⟩
  • Pierre Turq, Virginie Marry, Jean-François Dufrêche, Olivier Bernard. Transport of water and counterions in porous charged media. Horizons in complex systems, Dec 2001, Messine, Italy. ⟨hal-00173463⟩
  • Pierre Turq, Virginie Marry, Jean-François Dufrêche. Transport of water and counterions in montmorillonite. 27th International Conference on solution chemistry (27 ICSC), Sep 2001, Vaals, Netherlands. ⟨hal-00173464⟩
  • Pierre Turq, Virginie Marry, Jean-François Dufrêche, Olivier Bernard, Thierry Cartailler. L'eau et les ions dans les montmorillonites. Journées du GDR Practis, Feb 2001, Villeneuve-les-Avignon, France. ⟨hal-00173480⟩
  • Pierre Turq, Virginie Marry, Jean-François Dufrêche, Olivier Bernard. Models for electrokinetic phenomena in montmorillonite. Congrès ELKIN 2000, Oct 2000, Dresde, Germany. ⟨hal-00173482⟩
  • Virginie Marry, J.F. Dufrêche, Olivier Bernard, Pierre Turq. Electrokinetic phenomena in montmorillonite. 2000 Fall meeting Symposium Proceeding, 2000, Boston, United States. pp.T7.1.1-T7.1.6. ⟨hal-00173363⟩

Poster communications1 document

  • Amaury Coste, Olivier Diat, Arnaud Poulesquen, Jean-François Dufrêche, Magali Duvail. Investigation of the role of alkali cation in early stage of oligomerization in silicate fluids: a molecular dynamics study. 7th EuCheMS Chemistry Congress, Aug 2018, Liverpool, United Kingdom. ⟨hal-02142629⟩

Book sections3 documents

  • Olivier Diat, Pierre Bauduin, Thomas Zemb, Jean-François Dufrêche, Daniel Meyer. Extractant Molecules as Hosts in Surfactant Monolayers or Bilayers. Liposomes, Lipid Bilayers and Model Membranes: From Basic Research to Application, 2014, 9781466507098. ⟨hal-02003961⟩
  • Christian Simon, Jean-François Dufrêche, Christophe Poinssot. Traitement du combustible nucléaire usé et déchets. L'énergie à découvert, CNRS Editions, 2013, 978-2-271-07678-6. ⟨hal-02004039⟩
  • Magali Duvail, Jean-François Dufrêche, Lise Arleth, Thomas Zemb. Stiff and flexible water-poor microemulsions: disconnected and bicontinuous microstructures, their phase diagrams and scattering properties. Colloid and Interface Chemistry for Nanotechnology, 2013, 9781466569058. ⟨hal-02003980⟩

Preprints, Working Papers, ...1 document

  • Grégoire Allaire, Olivier Bernard, Jean-François Dufrêche, Andro Mikelic. Ion transport through deformable porous media: derivation of the macroscopic equations using upscaling. 2015. ⟨hal-01215457⟩

Theses1 document

  • Jean-François Dufrêche. Dynamique des Ions en Solution et aux interfaces : Modèles et Applications. Chimie théorique et/ou physique. Université Pierre et Marie Curie - Paris VI, 2001. Français. ⟨tel-00869532⟩