Jean-François Dufrêche

Identifiants chercheurs

IdHAL :

jean-francois-dufreche

ORCID :

0000-0001-8422-3639

IdRef :

060908688

Présentation

Publications

Article dans une revue (130)

Structure and chemistry of uranium dioxide (UO2) in water from first-principles molecular dynamics simulations Geoffroy Rodrik,Y. Foucaud,Bertrand Siboulet,Magali Duvail,Stephanie Szenknectet al. Colloids and Surfaces A: Physicochemical and Engineering Aspects, In press, 721, pp.136827. ⟨10.1016/j.colsurfa.2025.136827⟩ Article dans une revue hal-05063003v1
Collective adsorption of pheromones at the water-air interface Ludovic Jami,Bertrand Siboulet,Thomas Zemb,Jérôme Casas,Jean-François Dufrêche Current Biology, 2025, 35 (22), pp.5560-5571.e4. ⟨10.48550/arXiv.2512.04340⟩ Article dans une revue hal-05520079v1
Understanding the Aggregation of Lanthanum(III) Nitrate Clusters in Pure Methanol: A Molecular Dynamics Investigation Erwann Guillam,Magali Duvail,Lara Žiberna,Jean-François Dufrêche Journal of Physical Chemistry B, 2025, 129 (15), pp.3869-3878. ⟨10.1021/acs.jpcb.4c08316⟩ Article dans une revue hal-05018575v1
Modeling Lanthanide Ions in Solution: A Versatile Force Field in Aqueous and Organic Solvents Magali Duvail,Diego Moreno Martinez,Lara Žiberna,Erwann Guillam,Jean-François Dufrêcheet al. Journal of Chemical Theory and Computation, 2024, 20 (3), pp.1282-1292. ⟨10.1021/acs.jctc.3c01162⟩ Article dans une revue hal-04417824v1
Chemical models for dense solutions J.-F. Dufrêche,Bertrand Siboulet,Magali Duvail Faraday Discussions, 2024, 253, pp.79-99. ⟨10.1039/D4FD00084F⟩ Article dans une revue hal-04693938v1
Impact of branching position and degree on uranium extraction by amines: A supramolecular and thermodynamic study E. Guerinoni,F. Giusti,Sandrine Dourdain,Jean-François Dufrêche,R. Motokawaet al. Journal of Molecular Liquids, 2024, 403, pp.124820. ⟨10.1016/j.molliq.2024.124820⟩ Article dans une revue hal-04600014v1
How NaCl addition destabilizes ionic liquid micellar suspension until phase separation Jean-François Dufrêche,Marie Plazanet,Gautier Meyer,Isabelle Billard Comptes Rendus. Chimie, 2024, 27 (S5), pp.1-7. ⟨10.5802/crchim.300⟩ Article dans une revue hal-04719937v1
Liquid-Liquid Flow at Nanoscale: Slip and Hydrodynamic Boundary Conditions Lolita Hilaire,Bertrand Siboulet,Sophie Charton,Jean-François Dufrêche Langmuir, 2023, 39 (6), pp.2260. ⟨10.1021/acs.langmuir.2c02856⟩ Article dans une revue hal-03984792v1
Coalescence Initiation in Liquid–Liquid Systems: A Stochastic Model Lolita Hilaire,Bertrand Siboulet,Sophie Charton,Jean-François Dufrêche Langmuir, 2023, 39 (42), pp.14853-14858. ⟨10.1021/acs.langmuir.3c01403⟩ Article dans une revue hal-04483753v1
When Ions Defy Electrostatics: The Case of Superchaotropic Nanoion Adsorption Max Hohenschutz,Jean-François Dufrêche,Olivier Diat,Pierre Bauduin Journal of Physical Chemistry Letters, 2023, 14 (15), pp.3602-3608. ⟨10.1021/acs.jpclett.3c00095⟩ Article dans une revue hal-04156138v1
Collective Ion Adsorption on Silica Surfaces Driven by Ion Pairs Kunyu Wang,Bertrand Siboulet,Jean-François Dufrêche Journal of Physical Chemistry C, 2023, 127 (45), pp.22315-22335. ⟨10.1021/acs.jpcc.3c05113⟩ Article dans une revue hal-04483747v1
Aggregating fluids under centrifugal fields Simon Stemplinger,Thomas Zemb,Dominik Horinek,Jean-François Dufrêche Journal of Molecular Liquids, 2023, 386, pp.122358. ⟨10.1016/j.molliq.2023.122358⟩ Article dans une revue hal-04156169v1
Cation Adsorption in TiO2 Nanotubes: Implication for Water Decontamination Atiđa Selmani,Bertrand Siboulet,Mario Špadina,Yann Foucaud,Goran Dražićet al. ACS Applied Nano Materials, 2023, 6 (14), pp.12711-12725. ⟨10.1021/acsanm.3c00916⟩ Article dans une revue hal-04483775v1
Microemulsion as model to predict free energy of transfer of electrolyte in solvent extraction Simon Gourdin-Bertin,Jean-François Dufrêche,Magali Duvail,Thomas Zemb Solvent Extraction and Ion Exchange, 2022, 40 (1-2), pp.28-63. ⟨10.1080/07366299.2021.1953259⟩ Article dans une revue hal-03325952v1
Molecular dynamics simulations of Eu(NO3)3 salt with DMDOHEMA in n-alkanes: Unravelling curvature properties in liquid-liquid extraction Simon Stemplinger,Magali Duvail,Jean-François Dufrêche Journal of Molecular Liquids, 2022, 348, pp.118035. ⟨10.1016/j.molliq.2021.118035⟩ Article dans une revue hal-03436543v1
On interactions in binary mixtures used in solvent extraction: Insights from combined Isothermal Titration Calorimetry experiments and Molecular Dynamics simulations Mathilde Coquil,Nathalie Boubals,Magali Duvail,Marie-Christine Charbonnel,Jean-François Dufrêche Journal of Molecular Liquids, 2022, 345, pp.116985. ⟨10.1016/j.molliq.2021.116985⟩ Article dans une revue hal-03325902v1
Experimentally probing ionic solutions in single-digit nanoconfinement D. Rebiscoul,Markus Baum,Kunyu Wang,S. Tardif,Vincent Larreyet al. Journal of Colloid and Interface Science, 2022, 614, pp.396-404. ⟨10.1016/j.jcis.2022.01.128⟩ Article dans une revue hal-03542325v1
Individual adsorption of low volatility pheromones: Amphiphilic molecules on a clean water–air interface L. Jami,T. Zemb,J. Casas,J-F. Dufrêche The Journal of Chemical Physics, 2022, 157 (9), pp.094708. ⟨10.1063/5.0110264⟩ Article dans une revue hal-03876229v1
How Temperature Rise Can Induce Phase Separation in Aqueous Biphasic Solutions Gautier Meyer,Ralf Schweins,Tristan Youngs,Jean-François Dufrêche,Isabelle Billardet al. Journal of Physical Chemistry Letters, 2022, 13 (12), pp.2731-2736. ⟨10.1021/acs.jpclett.2c00146⟩ Article dans une revue hal-03632709v1
Why Local and Non-local Terms are Essential for Second Harmonic Generation Simulation? Y. Foucaud,Jean-François Dufrêche,Bertrand Siboulet,Magali Duvail,Alban Jonchereet al. Physical Chemistry Chemical Physics, 2022, 24, pp.12961-12973. ⟨10.1039/D1CP05437F⟩ Article dans une revue hal-03653959v1
Effect of alkyl chains configurations of tertiary amines on uranium extraction and phase stability – part II: Curvature free energy controlling the ion transfer Zijun Lu,Sandrine Dourdain,Jean-François Dufrêche,Bruno Demé,Thomas Zembet al. Journal of Molecular Liquids, 2022, 349, pp.118487. ⟨10.1016/j.molliq.2022.118487⟩ Article dans une revue hal-03633067v1
How acidity rules synergism and antagonism in liquid–liquid extraction by lipophilic extractants — Part II: application of the ienaic modelling M. Špadina,Sandrine Dourdain,J. Rey,K. Bohinc,S Pellet-Rostainget al. Solvent Extraction and Ion Exchange, 2022, 40 (1-2), pp.106-139. ⟨10.1080/07366299.2021.1899614⟩ Article dans une revue hal-03201983v1
Effect of alkyl chain configuration of tertiary amines on uranium extraction and phase stability – Part I: Evaluation of phase stability, extraction, and aggregation properties Zijun Lu,Sandrine Dourdain,Bruno Demé,Jean-François Dufrêche,Thomas Zembet al. Journal of Molecular Liquids, 2022, 349, pp.118409. ⟨10.1016/j.molliq.2021.118409⟩ Article dans une revue hal-03633060v1
How Acidity Rules Synergism and Antagonism in Liquid–Liquid Extraction by Lipophilic Extractants — Part I: Determination of Nanostructures and Free Energies of Transfer Sandrine Dourdain,M. Špadina,J. Rey,K. Bohinc,S Pellet-Rostainget al. Solvent Extraction and Ion Exchange, 2022, 40 (1-2), pp.86-105. ⟨10.1080/07366299.2021.1899606⟩ Article dans une revue hal-03201970v1
Liquid/liquid interface in periodic boundary condition Marin Vatin,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Physical Chemistry Chemical Physics, 2021, 23 (2), pp.1178-1187. ⟨10.1039/d0cp04629a⟩ Article dans une revue hal-03120483v1
Thermodynamics of malonamide aggregation deduced from molecular dynamics simulations Marin Vatin,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Journal of Physical Chemistry B, 2021, 125 (13), pp.3409-3418. ⟨10.1021/acs.jpcb.0c10865⟩ Article dans une revue hal-03201940v1
How ion pair formation drives adsorption in the electrical double layer: Molecular dynamics of charged silica-water interfaces in the presence of divalent alkaline earth ions Kunyu Wang,Bertrand Siboulet,Diane Rebiscoul,Jean-François Dufreche Journal of Physical Chemistry C, 2021, 125, pp.20551-20569. ⟨10.1021/acs.jpcc.1c05570⟩ Article dans une revue cea-03468071v1
Molecular Forces in Liquid–Liquid Extraction Mario Špadina,Jean-François Dufrêche,S Pellet-Rostaing,Stjepan Marčelja,Thomas Zemb Langmuir, 2021, 37 (36), pp.10637-10656. ⟨10.1021/acs.langmuir.1c00673⟩ Article dans une revue hal-03325911v1
Phase separation of binary mixtures induced by soft centrifugal fields Thomas Zemb,Rose Rosenberg,Stjepan Marčelja,Dirk Haffke,Jean-François Dufrêcheet al. Physical Chemistry Chemical Physics, 2021, 23 (14), pp.8261-8272. ⟨10.1039/D0CP01527J⟩ Article dans une revue hal-03326012v1
Theory of Ternary Fluids under Centrifugal Fields Simon Stemplinger,Sylvain Prévost,Thomas Zemb,Dominik Horinek,Jean-François Dufrêche Journal of Physical Chemistry B, 2021, 125 (43), pp.12054-12062. ⟨10.1021/acs.jpcb.1c05875⟩ Article dans une revue hal-03507801v1
Experimental and theoretical Study of morphological and charging properties of truncated octahedron and cubic ceria nanoparticles: Implications for biomedical applications Klemen Bohinc,Karla Korade,Katarina Jerin,Nikolina Lešić,Marijana Đakovićet al. ACS Applied Nano Materials, 2021, 4 (2), pp.1434-1444. ⟨10.1021/acsanm.0c02960⟩ Article dans une revue hal-03120543v1
Electrostatic interactions in water: a nonlocal electrostatic approach M. Vatin,A. Porro,N. Sator,Jean-François Dufrêche,H. Berthoumieux Molecular Physics, 2021, 119 (5), pp.e1825849. ⟨10.1080/00268976.2020.1825849⟩ Article dans une revue hal-03087007v1
Deciphering Second Harmonic Generation Signals Y. Foucaud,Bertrand Siboulet,Magali Duvail,Alban Jonchere,Olivier Diatet al. Chemical Science, 2021, 12 (45), pp.15134-15142. ⟨10.1039/D1SC03960A⟩ Article dans une revue hal-03411692v1
Activity of ruthenium(III) Nitrosylnitrate aqueous solution: Using ternary mixtures to get binary data Valentin Dru,Christian Sorel,Jean-François Dufrêche Journal of Molecular Liquids, 2021, 329, pp.115464. ⟨10.1016/j.molliq.2021.115464⟩ Article dans une revue hal-03325974v1
Deformation of a liquid near an AFM tip: molecular dynamics approach Lolita Hilaire,Bertrand Siboulet,Sophie Charton,René Ledesma Alonso,Dominique Legendreet al. Langmuir, 2020, 36 (30), pp.8993-9004. ⟨10.1021/acs.langmuir.0c00023⟩ Article dans une revue hal-02924910v1
How Adsorption of Pheromones on Aerosols Controls Their Transport Ludovic Jami,Thomas Zemb,Jérôme Casas,Jean-François Dufrêche ACS Central Science, 2020, 6 (9), pp.1628-1638. ⟨10.1021/acscentsci.0c00892⟩ Article dans une revue hal-02924943v1
Bending: from thin interfaces to molecular films in microemulsions Jean-François Dufrêche,Thomas Zemb Current Opinion in Colloid & Interface Science, 2020, 49, pp.133-147. ⟨10.1016/j.cocis.2020.06.001⟩ Article dans une revue hal-02924931v1
Colloidal Model for the Prediction of the Extraction of Rare Earths Assisted by the Acidic Extractant Mario Špadina,Klemen Bohinc,Thomas Zemb,Jean-François Dufrêche Langmuir, 2019, 35 (8), pp.3215-3230. ⟨10.1021/acs.langmuir.8b03846⟩ Article dans une revue hal-02050534v1
Investigation of the structure of concentrated NaOH aqueous solutions by combining molecular dynamics and wide-angle X-ray scattering Amaury Coste,Arnaud Poulesquen,Olivier Diat,Jean-François Dufrêche,Magali Duvail Journal of Physical Chemistry B, 2019, 123 (24), pp.5121-5130. ⟨10.1021/acs.jpcb.9b00495⟩ Article dans une revue hal-02171608v1
A thermodynamic model of non-ionic surfactants' micellization in the presence of polyoxometalates Luc Girard,Bappaditya Naskar,Jean-François Dufrêche,Jonathan Lai,Olivier Diatet al. Journal of Molecular Liquids, 2019, 293, pp.111280. ⟨10.1016/j.molliq.2019.111280⟩ Article dans une revue hal-02379312v1
Synergistic Solvent Extraction Is Driven by Entropy Mario Špadina,Klemen Bohinc,Thomas Zemb,Jean-François Dufrêche ACS Nano, 2019, 13 (12), pp.13745-13758. ⟨10.1021/acsnano.9b07605⟩ Article dans une revue hal-02494178v1
Preferential Adsorption in Mixed Electrolytes Confined by Charged Amorphous Silica Max Döpke,Johannes Lützenkirchen,Othonas Moultos,Bertrand Siboulet,Jean-François Dufrêcheet al. Journal of Physical Chemistry C, 2019, 123 (27), pp.16711-16720. ⟨10.1021/acs.jpcc.9b02975⟩ Article dans une revue hal-02379210v1
Multicomponent Model for the Prediction of Nuclear Waste/Rare-Earth Extraction Processes Mario Špadina,Klemen Bohinc,Thomas Zemb,Jean-François Dufrêche Langmuir, 2018, 34 (35), pp.10434-10447. ⟨10.1021/ACS.LANGMUIR.8B01759⟩ Article dans une revue hal-01998185v1
Combined supramolecular and mesoscale modelling of liquid–liquid extraction of rare earth salts Anwesa Karmakar,Magali Duvail,Michael Bley,Thomas Zemb,Jean-François Dufrêche Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2018, 555, pp.713-727. ⟨10.1016/j.colsurfa.2018.07.013⟩ Article dans une revue hal-01998379v1
Charge Properties of TiO2 Nanotubes in NaNO3 Aqueous Solution Mario Špadina,Simon Gourdin-Bertin,Goran Dražić,Atiđa Selmani,Jean-François Dufrêcheet al. ACS Applied Materials & Interfaces, 2018, 10 (15), pp.13130-13142. ⟨10.1021/acsami.7b18737⟩ Article dans une revue hal-01999589v1
Molecular simulation of binary phase diagrams from the osmotic equilibrium method: vapour pressure and activity in water–ethanol mixtures Michael Bley,Magali Duvail,Philippe Guilbaud,Christophe Penisson,Johannes Theisenet al. Molecular Physics, 2018, 116 (15-16), pp.2009-2021. ⟨10.1080/00268976.2018.1444209⟩ Article dans une revue cea-01760168v1
Activity Coefficients of Aqueous Sodium, Calcium, and Europium Nitrate Solutions from Osmotic Equilibrium MD Simulations Michael Bley,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Journal of Physical Chemistry B, 2018, 122 (31), pp.7726-7736. ⟨10.1021/acs.jpcb.8b04950⟩ Article dans une revue hal-01998392v1
Non-additivity of ionic radii in electrolyte solutions: Hofmeister effect on mixtures modeled by an Associated MSA model Arnaud Villard,Olivier Bernard,Jean-François Dufrêche Journal of Molecular Liquids, 2018, 270, pp.30-39. ⟨10.1016/j.molliq.2018.01.125⟩ Article dans une revue hal-01949521v1
Measuring surface charge: Why experimental characterization and molecular modeling should be coupled Remco Hartkamp,Anne-Laure Biance,Li Fu,Jean-François Dufrêche,Oriane Bonhommeet al. Current Opinion in Colloid & Interface Science, 2018, 37, pp.101 - 114. ⟨10.1016/j.cocis.2018.08.001⟩ Article dans une revue (article de synthèse) hal-01909438v1
Selective layer-free blood serum ionogram based on ion-specific interactions with a nanotransistor R. Sivakumarasamy,R. Hartkamp,Bertrand Siboulet,Jean-François Dufrêche,K. Nishiguchiet al. Nature Materials, 2018, 17 (5), pp.464 - 470. ⟨10.1038/s41563-017-0016-y⟩ Article dans une revue cea-01883606v1
Sorption pH dependance of strontium/calcium by sodium nonatitanate Arnaud Villard,Guillaume Toquer,Bertrand Siboulet,Philippe Trens,Agnès Grandjeanet al. Chemosphere, 2018, 202, pp.33 - 39. ⟨10.1016/j.chemosphere.2018.02.017⟩ Article dans une revue hal-01789826v1
Simulating osmotic equilibria: A new tool for calculating activity coefficients in concentrated aqueous salt solutions Michael Bley,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Journal of Physical Chemistry B, 2017, 121 (41), pp.9647-9658. ⟨10.1021/acs.jpcb.7b04011⟩ Article dans une revue hal-01999620v1
Thermodynamic Description of Synergy in Solvent Extraction: II Thermodynamic Balance of Driving Forces Implied in Synergistic Extraction J. Rey,M. Bley,Jean-François Dufrêche,S. Gourdin,S Pellet-Rostainget al. Langmuir, 2017, 33 (46), pp.13168-13179. ⟨10.1021/acs.langmuir.7b02068⟩ Article dans une revue hal-01999611v1
Analysis of the second harmonic generation signal from a liquid/air and liquid/liquid interface Thanh Tung Pham,Alban Jonchere,Jean-François Dufrêche,Pierre-Francois Brevet,Olivier Diat The Journal of Chemical Physics, 2017, 146 (14), pp.144701. ⟨10.1063/1.4979879⟩ Article dans une revue hal-02000024v1
The role of curvature effects in liquid–liquid extraction: assessing organic phase mesoscopic properties from MD simulations Magali Duvail,Steven van Damme,Philippe Guilbaud,Yushu Chen,Thomas Zembet al. Soft Matter, 2017, 13 (33), pp.5518-5526. ⟨10.1039/C7SM00733G⟩ Article dans une revue hal-02000001v1
Stability of reverse micelles in rare-earth separation: a chemical model based on a molecular approach Yushu Chen,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Physical Chemistry Chemical Physics, 2017, 19 (10), pp.7094-7100. ⟨10.1039/C6CP07843E⟩ Article dans une revue hal-02000040v1
Ion transport through deformable porous media:derivation of the macroscopic equations using upscaling Grégoire Allaire,Olivier Bernard,Jean-François Dufrêche,Andro Mikelic Computational & Applied Mathematics, 2017, 36, pp.1431-1462. ⟨10.1007/s40314-016-0321-0⟩ Article dans une revue hal-01278241v1
Scrutinizing Electro-Osmosis and Surface Conductivity with Molecular Dynamics Bertrand Siboulet,Sarah Hocine,Remco Hartkamp,Jean-François Dufrêche Journal of Physical Chemistry C, 2017, 121 (12), pp.6756-6769. ⟨10.1021/acs.jpcc.7b00309⟩ Article dans une revue hal-02000032v1
Thermodynamic description of synergy in solvent extraction: I. Enthalpy of mixing at the origin of synergistic aggregation J. Rey,Sandrine Dourdain,Jean-François Dufrêche,Laurence Berthon,J. Mulleret al. Langmuir, 2016, 32 (49), pp.13095-13105. ⟨10.1021/acs.langmuir.6b02343⟩ Article dans une revue hal-02000053v1
Ion transport through deformable porous media: derivation of the macroscopic equations using upscaling Grégoire Allaire,Olivier Bernard,Jean-François Dufrêche,Andro Mikelić Computational & Applied Mathematics, 2016, 36 (3), pp.1431-1462. ⟨10.1007/s40314-016-0321-0⟩ Article dans une revue hal-01215457v1
Modeling and Speciation Study of Uranium(VI) and Technetium(VII) Coextraction with DEHiBA Pauline Moeyaert,Thomas Dumas,Dominique Guillaumont,Kristina Kvashnina,Christian Sorelet al. Inorganic Chemistry, 2016, 55 (13), pp.6511-6519. ⟨10.1021/acs.inorgchem.6b00595⟩ Article dans une revue hal-02000078v1
A predictive model of reverse micelles solubilizing water for solvent extraction Michael Bley,Bertrand Siboulet,Anwesa Karmakar,Thomas Zemb,Jean-François Dufrêche Journal of Colloid and Interface Science, 2016, 479, pp.106-114. ⟨10.1016/j.jcis.2016.06.044⟩ Article dans une revue hal-02000058v1
How ion condensation occurs at a charged surface: a molecular dynamics investigation of the stern layer for water–silica interfaces Sarah Hocine,Remco Hartkamp,Bertrand Siboulet,Magali Duvail,Benoit Coasneet al. Journal of Physical Chemistry C, 2016, 120 (2), pp.963-973. ⟨10.1021/acs.jpcc.5b08836⟩ Article dans une revue hal-02000098v1
Solvent Extraction: Structure of the Liquid-Liquid Interface Containing a Diamide Ligand Ernesto Scoppola,Erik B Watkins,Richard H. Campbell,Oleg Konovalov,Luc Girardet al. Angewandte Chemie International Edition, 2016, 55 (32), pp.9326-9330. ⟨10.1002/anie.201603395⟩ Article dans une revue istex hal-02000071v1
Modeling the transport of water and ionic tracers in a micrometric clay sample Pauline Bacle,,Jean-François Dufrêche,Benjamin Rotenberg,Ian C. Bourg,Virginie Marry Applied Clay Science, 2016, 123, pp.18--28. ⟨10.1016/j.clay.2015.12.014⟩ Article dans une revue hal-01484130v1
Strontium selectivity in sodium nonatitanate Na4Ti9O20·xH2O Arnaud Villard,Bertrand Siboulet,Guillaume Toquer,Aurélie Merceille,Agnès Grandjeanet al. Journal of Hazardous Materials, 2015, 283, pp.432-438. ⟨10.1016/j.jhazmat.2014.09.039⟩ Article dans une revue hal-02000305v1
Recycling metals by controlled transfer of ionic species between complex fluids: en route to “ienaics” Thomas Zemb,Caroline Bauer,Pierre Bauduin,Luc Belloni,Christophe Dejugnatet al. Colloid and Polymer Science, 2015, 293 (1), pp.1-22. ⟨10.1007/s00396-014-3447-x⟩ Article dans une revue hal-01187792v1
Multi-scale modelling of uranyl chloride solutions Thanh-Nghi Nguyen,Magali Duvail,Arnaud Villard,John Jairo Molina,Philippe Guilbaudet al. The Journal of Chemical Physics, 2015, 142 (2), pp.024501. ⟨10.1063/1.4905008⟩ Article dans une revue hal-02000182v1
Thermodynamics of associated electrolytes in water: Molecular dynamics simulations of sulfate solutions Magali Duvail,Arnaud Villard,Thanh-Nghi Nguyen,Jean-François Dufrêche Journal of Physical Chemistry B, 2015, 119 (34), pp.11184-11195. ⟨10.1021/acs.jpcb.5b03088⟩ Article dans une revue hal-02000133v1
Density and activity of pertechnetic acid aqueous solutions at T = 298.15 K P. Moeyaert,L. Abiad,C. Sorel,Jean-François Dufrêche,A. Ruaset al. Journal of Chemical Thermodynamics, 2015, 91, pp.94-100. ⟨10.1016/j.jct.2015.07.006⟩ Article dans une revue hal-02000113v1
Effect of long-range interactions on ion equilibria in liquid–liquid extraction Jean-François Dufrêche,Thomas Zemb Chemical Physics Letters, 2015, 622, pp.45-49. ⟨10.1016/j.cplett.2014.11.028⟩ Article dans une revue hal-02000234v1
Ion-specific adsorption and electroosmosis in charged amorphous porous silica Remco Hartkamp,Bertrand Siboulet,Jean-François Dufrêche,Benoit Coasne Physical Chemistry Chemical Physics, 2015, 17 (38), pp.24683-24695. ⟨10.1039/C5CP03818A⟩ Article dans une revue hal-02000123v1
Density and activity of perrhenic acid aqueous solutions at T= 298.15 K P. Moeyaert,L. Abiad,C. Sorel,Jean-François Dufrêche,Philippe Moisy Journal of Chemical Thermodynamics, 2015, 85, pp.61-67. ⟨10.1016/j.jct.2015.01.006⟩ Article dans une revue istex hal-03675822v1
Role of non-ideality for the ion transport in porous media: derivation of the macroscopic equations using upscaling Grégoire Allaire,Robert Brizzi,Jean-François Dufrêche,Andro Mikelic,Andrey Piatnitski Physica D: Nonlinear Phenomena, 2014, 282, pp.39-60. ⟨10.1016/j.physd.2014.05.007⟩ Article dans une revue hal-00863442v1
Influence of the volume fraction on the electrokinetic properties of maghemite nanoparticles in suspension Ivan T. Lucas,S. Durand-Vidal,Olivier Bernard,V. Dahirel,E. Duboiset al. Molecular Physics, 2014, 112 (9-10), pp.1463-1471. ⟨10.1080/00268976.2014.906672⟩ Article dans une revue hal-01083559v1
Pierre Turq, an inspirational scientist in charge and at interfaces Bernard Ancian,Olivier Bernard,Jean Chevalet,Vincent Dahirel,Didier Devillierset al. Molecular Physics, 2014, 112 (9-10), pp.1213--1221. ⟨10.1080/00268976.2014.885094⟩ Article dans une revue hal-01484053v1
Liquid-Liquid Extraction of Acids by a Malonamide: II-Anion Specific Effects in the Aggregate-Enhanced Extraction Isotherms Sandrine Dourdain,Christophe Dejugnat,Laurence Berthon,Véronique Dubois,S Pellet-Rostainget al. Solvent Extraction and Ion Exchange, 2014, 32 (6), pp.620-636. ⟨10.1080/07366299.2014.924311⟩ Article dans une revue hal-01999333v1
Modelling of mutual diffusion for associated electrolytes solution: ZnSO4 and MgSO4 aqueous solutions Jean-François Dufrêche,Magali Duvail,Bertrand Siboulet,Jardat M.,Bernard O. Molecular Physics, 2014, 112 (9-10), pp.1405 - 1417. ⟨10.1080/00268976.2014.903306⟩ Article dans une revue hal-01472416v1
Reverse aggregate nucleation induced by acids in liquid–liquid extraction processes Christophe Dejugnat,Sandrine Dourdain,Véronique Dubois,Laurence Berthon,S Pellet-Rostainget al. Physical Chemistry Chemical Physics, 2014, 16 (16), pp.7339. ⟨10.1039/C4CP00073K⟩ Article dans une revue hal-01999325v1
Predicting for thermodynamic instabilities in water/oil/surfactant microemulsions: A mesoscopic modelling approach Magali Duvail,Lise Arleth,Thomas Zemb,Jean-François Dufrêche The Journal of Chemical Physics, 2014, 140 (16), pp.164711. ⟨10.1063/1.4873357⟩ Article dans une revue hal-02001423v1
Asymptotic analysis of the Poisson-Boltzmann equation describing electrokinetics in porous media Grégoire Allaire,Jean-François Dufrêche,Andro Mikelic,Andrey Piatnitski Nonlinearity, 2013, 26, pp.881--910. ⟨10.1088/0951-7715/26/3/881⟩ Article dans une revue hal-00863403v1
Ion transport in porous media: derivation of the macroscopic equations using up-scaling and properties of the effective coefficients Grégoire Allaire,Robert Brizzi,Jean-François Dufrêche,Andro Mikelic,Andrey Piatnitski Computational Geosciences, 2013, 17 (3), pp.479-496. ⟨10.1007/s10596-013-9342-6⟩ Article dans une revue istex hal-00863401v1
Water self-diffusion at the surface of silica glasses: effect of hydrophilic to hydrophobic transition Bertrand Siboulet,J. Molina,Benoit Coasne,P. Turq,Jean-François Dufrêche Molecular Physics, 2013, 111 (22-23), pp.3410-3417. ⟨10.1080/00268976.2013.861084⟩ Article dans une revue hal-02001440v1
Mesoscopic modelling of frustration in microemulsions Magali Duvail,Jean-François Dufrêche,Lise Arleth,Thomas Zemb Physical Chemistry Chemical Physics, 2013, 15 (19), pp.7133. ⟨10.1039/C3CP43981J⟩ Article dans une revue hal-02001920v1
Water electrolysis and energy harvesting with zero-dimensional ion-sensitive field-effect transistors N. Clement,K. Nishiguchi,Jean-François Dufrêche,David Guérin,A. Fujiwaraet al. Nano Letters, 2013, 13 (8), pp.3903-3908. ⟨10.1021/nl4019879⟩ Article dans une revue hal-00871930v1
Recycling of Uranyl from Contaminated Water Klemen Bohinc,Jurij Reščič,Jean-François Dufrêche,Leo Lue Journal of Physical Chemistry B, 2013, 117 (37), pp.10846-10851. ⟨10.1021/jp404822f⟩ Article dans une revue hal-02001883v1
Reverse Aggregates as Adaptive Self-Assembled Systems for Selective Liquid-Liquid Cation Extraction Thomas Zemb,Magali Duvail,Jean-François Dufrêche Israel Journal of Chemistry, 2013, 53 (1-2), pp.108-112. ⟨10.1002/ijch.201200091⟩ Article dans une revue istex hal-02000312v1
Surfactant transfer across a water/oil interface: A diffusion/kinetics model for the interfacial tension evolution Pierre-Marie Gassin,Romain Champory,Gaelle Martin-Gassin,Jean-François Dufrêche,Olivier Diat Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2013, 436, pp.1103. ⟨10.1016/j.colsurfa.2013.08.053⟩ Article dans une revue istex hal-00924397v1
How Do Anions Affect Self-Assembly and Solubility of Cetylpyridinium Surfactants in Water Wolfram Müller,Christophe Dejugnat,Thomas Zemb,Jean-François Dufrêche,Olivier Diat Journal of Physical Chemistry B, 2013, 117 (5), pp.1345-1356. ⟨10.1021/jp3093622⟩ Article dans une revue hal-02002016v1
Synergism by Coassembly at the Origin of Ion Selectivity in Liquid–Liquid Extraction Sandrine Dourdain,I. Hofmeister,O. Pecheur,Jean-François Dufrêche,R. Turgiset al. Langmuir, 2012, 28 (31), pp.11319-11328. ⟨10.1021/la301733r⟩ Article dans une revue hal-01999341v1
Nonequilibrium Vibrational Excitation of OH Radicals Generated During Multibubble Cavitation in Water Abdoul Aziz Ndiaye,Rachel Pflieger,Bertrand Siboulet,John Molina,Jean-François Dufrêcheet al. Journal of Physical Chemistry A, 2012, 116 (20), pp.4860-4867. ⟨10.1021/jp301989b⟩ Article dans une revue hal-02002133v1
Liquid/liquid metal extraction: Phase diagram topology resulting from molecular interactions between extractant, ion, oil and water C. Bauer,P. Bauduin,Jean-François Dufrêche,Thomas Zemb,Olivier Diat The European Physical Journal. Special Topics, 2012, 213 (1), pp.225-241. ⟨10.1140/epjst/e2012-01673-4⟩ Article dans une revue hal-02002038v1
Kinetics of Triton-X100 transfer across the water/dodecane interface: analysis of the interfacial tension variation Pierre-Marie Gassin,Gaelle Martin-Gassin,Daniel Meyer,Jean-François Dufrêche,Olivier Diat Journal of Physical Chemistry C, 2012, 116 (24), pp.13152-13160. ⟨10.1021/jp302514k⟩ Article dans une revue hal-00747016v1
Primitive models of ions in solution from molecular descriptions: A perturbation approach John Molina,Jean-François Dufrêche,Mathieu Salanne,Olivier Bernard,Pierre Turq The Journal of Chemical Physics, 2011, 135 (23), pp.234509. ⟨10.1063/1.3668098⟩ Article dans une revue hal-02002570v1
A silicon nanowire ion-sensitive field-effect-transistor with elementary charge sensitivity N. Clement,K. Nishiguchi,Jean-François Dufrêche,David Guérin,A. Fujiwaraet al. Applied Physics Letters, 2011, 98, pp.014104-3. ⟨10.1063/1.3535958⟩ Article dans une revue hal-00572646v1
Ions in solutions: Determining their polarizabilities from first-principles J.J. Molina,S. Lectez,S. Tazi,M. Salanne,Jean-François Dufrêcheet al. The Journal of Chemical Physics, 2011, 134, pp.014511. ⟨10.1063/1.3518101⟩ Article dans une revue in2p3-00575117v1
Ion-specific weak adsorption of salts and water/octanol transfer free energy of a model amphiphilic hexapeptide Christophe Dejugnat,Jean-François Dufrêche,Thomas Zemb Physical Chemistry Chemical Physics, 2011, 13 (15), pp.6914. ⟨10.1039/c0cp01750g⟩ Article dans une revue hal-02002588v1
Atomistic Description of Binary Lanthanoid Salt Solutions: A Coarse-Graining Approach John Jairo Molina,Magali Duvail,Jean-François Dufrêche,Philippe Guilbaud Journal of Physical Chemistry B, 2011, 115 (15), pp.4329-4340. ⟨10.1021/jp1110168⟩ Article dans une revue hal-02002579v1
Hydrophobic Transition in Porous Amorphous Silica Bertrand Siboulet,Benoit Coasne,Jean-François Dufrêche,Pierre Turq Journal of Physical Chemistry B, 2011, 115, pp.7881-7886. ⟨10.1021/jp203193k⟩ Article dans une revue hal-00644778v1
Bridging molecular and continuous descriptions: the case of dynamics in clays Jean-François Dufrêche,Benjamin Rotenberg,Virginie Marry,Pierre Turq Anais da Academia Brasileira de Ciências, 2010, 82 (1), pp.61-68. ⟨10.1590/S0001-37652010000100006⟩ Article dans une revue hal-02002618v1
Coarse-grained lanthanoid chloride aqueous solutions John Jairo Molina,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Journal of Molecular Liquids, 2010, 153 (2-3), pp.107-111. ⟨10.1016/j.molliq.2010.01.007⟩ Article dans une revue istex hal-02002610v1
Models of electrolyte solutions from molecular descriptions: The example of NaCl solutions John Jairo Molina,Jean-François Dufrêche,Mathieu Salanne,Olivier Bernard,Marie Jardatet al. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics [2001-2015], 2009, 80 (6), pp.065103. ⟨10.1103/PhysRevE.80.065103⟩ Article dans une revue hal-02002625v1
Salt exclusion in charged porous media: a coarse-graining strategy in the case of montmorillonite clays Marie Jardat,Jean-François Dufrêche,Virginie Marry,Benjamin Rotenberg,Pierre Turq Physical Chemistry Chemical Physics, 2009, 11 (12), ⟨10.1039/B818055E⟩ Article dans une revue istex hal-01917646v1
Fluorescence confocal scanning microscopy for pH mapping in a coaxial flow microreactor: application in the synthesis of superparamagnetic nanoparticles Ali Abou Hassan,Jean-François Dufrêche,Olivier Sandre,Guillaume Mériguet,Olivier Bernardet al. Journal of Physical Chemistry C, 2009, 113 (42), pp.18097-18105. ⟨10.1021/jp9069459⟩ Article dans une revue hal-00428983v1
New coarse-graining procedure for the dynamics of charged spherical nanoparticles in solution Vincent Dahirel,Marie Jardat,Jean-François Dufrêche,Pierre Turq The Journal of Chemical Physics, 2007, 126, pp.114108. ⟨10.1063/1.2710254⟩ Article dans une revue hal-00143417v1
Toward the description of electrostatic interactions between globular proteins: Potential of mean force in the primitive model Vincent Dahirel,Marie Jardat,Jean-François Dufrêche,Pierre Turq The Journal of Chemical Physics, 2007, 127, pp.095101. ⟨10.1063/1.2767626⟩ Article dans une revue hal-00164769v1
Modeling water and ion diffusion in clays : A multiscale approach Benjamin Rotenberg,Virginie Marry,Jean-François Dufrêche,Natalie Malikova,Eric Giffautet al. Comptes Rendus. Chimie, 2007, 10, pp.1108. ⟨10.1016/j.crci.2007.02.009⟩ Article dans une revue hal-00369632v1
A multiscale approach to ion diffusion in clays: Building a two-state diffusion–reaction scheme from microscopic dynamics Benjamin Rotenberg,Virginie Marry,Jean-François Dufrêche,Eric Giffaut,Pierre Turq Journal of Colloid and Interface Science, 2007, Elkin 06, International Electrokinetics Conference, June 25-29, Nancy, France, 309 (2), pp.289 - 295. ⟨10.1016/j.jcis.2007.01.090⟩ Article dans une revue hal-01917520v1
Ion dynamics in compacted clays: Derivation of a two-state diffusion-reaction scheme from the lattice Fokker-Planck equation Benjamin Rotenberg,Jean-François Dufrêche,B. Bagchi,E. Giffaut,J.-P Hansenet al. The Journal of Chemical Physics, 2006, 124 (15), pp.154701. ⟨10.1063/1.2194014⟩ Article dans une revue hal-01897033v1
Influence of Ion Properties on the Equilibrium and Transport Properties of Electrolyte Solutions Steven van Damme,Johan Deconinck,Jean-François Dufrêche Journal of Physical Chemistry B, 2006, 110, pp.1015-1019 Article dans une revue hal-00173640v1
An analytical model for probing ion dynamics in clasys with broadband dielectric spectroscopy Benjamin Rotenberg,Agathe Cadène,Jean-François Dufrêche,S. Durand-Vidal,J.C. Badotet al. The Journal of physical chemistry, 2005, B 109, pp.15548-15557 Article dans une revue hal-00014427v1
Lanthanide Salts Solutions: Representation of Osmotic Coefficients within the Binding Mean Spherical Approximation. A. Ruas,P. Moisy,J.-P. Simonin,Olivier Bernard,Jean-François Dufrêcheet al. Journal of Physical Chemistry B, 2005, 109, pp.5243-5248 Article dans une revue hal-00162126v1
Analytical Theories of Transport in Concentrated Electrolyte Solutions from the MSA. Jean-François Dufrêche,Olivier Bernard,Serge Durand-Vidal,Pierre Turq Journal of Physical Chemistry B, 2005, 109, pp.9873-9884 Article dans une revue hal-00164731v1
An Analytical Model for Probing Ion Dynamics in Clays with Broadband Dielectric Spectroscopy Benjamin Rotenberg,Anthony Cadene,Jean-François Dufrêche,Serge Durand-Vidal,Jean-Claude Badotet al. Journal of Physical Chemistry B, 2005, 109, pp.15548-15557. ⟨10.1021/jp051586k⟩ Article dans une revue hal-00166966v1
Frequency-dependent dielectric permittivity of salt-free charged lamellar systems Benjamin Rotenberg,Jean-François Dufrêche,Pierre Turq The Journal of Chemical Physics, 2005, 123, pp.154902 Article dans une revue hal-00016443v1
Transport in electrolyte solutions: are ions Brownian particles? Jean-François Dufrêche,Olivier Bernard,Pierre Turq Journal of Molecular Liquids, 2005, pp.189-194 Article dans une revue hal-00164733v1
Molecular hydrodynamics for electro-osmosis in clays: from Kubo to Smoluchowski Jean-François Dufrêche,Virginie Marry,Natalie Malikova,Pierre Turq Journal of Molecular Liquids, 2005, 118 (1-3), 145-153 Sp. Iss. SI Article dans une revue hal-00168683v1
Bias voltage dependent electrochemical impedance spectroscopy of p- and n-type silicon substrates Marius Chemla,Jean-François Dufrêche,Isabelle Darolles,François Rouelle,Didier Devillierset al. Electrochimica Acta, 2005, 51, pp.665 Article dans une revue hal-00016442v1
Lanthanide Salts Solutions: Representation of Osmotic Coefficients within the Binding Mean Spherical Approximation. Alexandre Ruas,Philippe Moisy,Jean-Pierre Simonin,Olivier Bernard,Jean-François Dufrêcheet al. Journal of Physical Chemistry B, 2005, 109, pp.5243-5248 Article dans une revue hal-00164780v1
Na/Cs montmorillonite: temperature activation of diffusion by simulation Natalie Malikova,Virginie Marry,Jean-François Dufrêche,Pierre Turq Current Opinion in Colloid & Interface Science, 2004, 9 (1-2), pp.124-127 Article dans une revue hal-00168701v1
Temperature effect in a montmorillonite clay at low hydration-microscopic simulation Natalie Malikova,Virginie Marry,Jean-François Dufrêche,Christian M. Simon,Pierre Turqet al. Molecular Physics, 2004, 102 (18), pp.1965-1977 Article dans une revue hal-00168699v1
Equilibrium and electrokinetic phenomena in charged porous media from microscopic and mesoscopic models: electro-osmosis in montmorillonite V. Marry,Jean-François Dufrêche,Marie Jardat,P. Turq Molecular Physics, 2003, 101, pp.3111. ⟨10.1080/00268970310001626432⟩ Article dans une revue hal-00143676v1
Dynamics and transport in charged porous media V. Marry,Jean-François Dufrêche,Marie Jardat,G. Meriguet,P. Turqet al. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2003, 222, pp.147. ⟨10.1016/S0927-7757(03)00251-6⟩ Article dans une revue istex hal-00143692v1
Response to &quot;Comment on 'Transport equations for concentrated electrolyte solutions: Reference frame, mutual diffusion' &quot;. Jean-François Dufrêche,Olivier Bernard,Marie Jardat,Pierre Turq The Journal of Chemical Physics, 2003, 118, pp.8116-8117 Article dans une revue hal-00164746v1
Mutual diffusion coefficients in concentrated electrolyte solutions. Jean-François Dufrêche,Olivier Bernard,Pierre Turq Journal of Molecular Liquids, 2002, 96-97, pp.123-133 Article dans une revue hal-00164812v1
Transport equations for concentrated electrolyte solutions: Reference frame, mutual diffusion. Jean-François Dufrêche,Olivier Bernard,Pierre Turq The Journal of Chemical Physics, 2002, 116, pp.2085-2097 Article dans une revue hal-00164808v1
Ionic self-diffusion coefficients in concentrated electrolyte solutions. Jean-François Dufrêche,Olivier Bernard,Pierre Turq,A. Mukhetjee,Biman Bagchi Physical Review Letters, 2002, 88, pp.095902-1 Article dans une revue hal-00164811v1
Mutual diffusion coefficient of charged particles in the solvent -fixed frame of reference from Brownian dynamics simulation. Jean-François Dufrêche,Marie Jardat,T. Olynyk,Olivier Bernard,Pierre Turq The Journal of Chemical Physics, 2002, pp.3804-3810 Article dans une revue hal-00164757v1
Model for electrokinetic phenomena in montmorillonite. Jean-François Dufrêche,Virginie Marry,Olivier Bernard,Pierre Turq Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2001, 195, pp.171-180 Article dans une revue hal-00164815v1
Sedimentation of Charged Colloids in the Gravitational Field: Relaxation toward Equilibrium. Jean-François Dufrêche,J.P. Simonin,P. Turq Journal of Molecular Liquids, 1999, 79, pp.137-149 Article dans une revue hal-00162409v1

Communication dans un congrès (73)

Impact de la position et du degré de ramification sur l'extraction de l'uranium par les amines : Une étude supramoléculaire et thermodynamique Fabrice Giusti,Sandrine Dourdain,Elise Guerinoni,Jean-François Dufrêche,Ryuhei Motokawaet al. GDR Prométhée, May 2024, Rueil-Malmaison, France Communication dans un congrès hal-04768308v1
How to predict the thermodynamics of rare-earth reverse micelle involved in separation chemistry Magali Duvail,Philippe Guilbaud,Thomas Zemb,Jean-François Dufrêche 38th Conference of the European Colloid and Interface Society, Sep 2024, Copenaghen, Denmark Communication dans un congrès hal-04692672v1
Prédiction moléculaire des enthalpies libres de transfert des ions pour l’extraction liquide-liquide Erwann Guillam,Magali Duvail,Jean-François Dufrêche Journée des Doctorants de l'ICSM, ICSM, Apr 2024, Bagnols sur Cèze, France Communication dans un congrès hal-04693017v1
Remplacement des diluants conventionnels par un hydrotrope pour un procédé d'extraction liquide-liquide Clément Fleury,Guilhem Arrachart,Stéphane Pellet-Rostaing,Asmae El Maangar,Jean-François Dufrêcheet al. GDR Prométhée, May 2024, Rueil-Malmaison, France Communication dans un congrès hal-04768300v1
Modeling of liquid-liquid extraction of salts between an aqueous phase and a microemulsion Emília V. Ferreira de Aragão,Magali Duvail,Jean-François Dufrêche 36th Molecular Modelling Workshop 2024, Mar 2024, Erlangen, Germany Communication dans un congrès hal-04695206v1
Molecular prediction of water transfer in water-octanol interfaces for liquid-liquid extraction Erwann Guillam,Magali Duvail,Jean-François Dufrêche 36th Molecular Modelling Workshop 2024, Mar 2024, Erlangen, Germany Communication dans un congrès hal-04692850v1
Prédiction moléculaire des enthalpies libres de transfert pour l’extraction liquide-liquide Erwann Guillam,Magali Duvail,Jean-François Dufrêche Journées Scientifiques de l'ISEC, Jun 2024, Bagnols sur Cèze, France Communication dans un congrès hal-04693032v1
Water-octanol and air-octanol interfaces Erwann Guillam,Magali Duvail,Jean-François Dufrêche Journées Théorie, Modélisation et Simulations - JTMS 2023, ThéMoSiA, Oct 2023, Strasbourg, France Communication dans un congrès hal-04692791v1
Water-octanol and air-octanol interfaces Erwann Guillam,Magali Duvail,Jean-François Dufrêche Nuclear Fuel Cycle: A Chemistry Conference (NFC3) – 2023, Nov 2023, Conférence en ligne, France Communication dans un congrès hal-04692811v1
Simulation at the service of liquid solid interfaces: insight from molecular dynamics Jean-François Dufrêche,Magali Duvail,Bertrand Siboulet,Mario Špadina,Wang, Kunyu Workshop on Solid-Liquid Interfaces, ICSM, Sep 2022, Bagnolssur-Cèze, France Communication dans un congrès hal-04810705v1
Experimentally probing ionic solutions in single-digit nanoconfinement D. Rebiscoul,Markus Baum,Hassan Khoder,Kunyu Wang,S. Tardifet al. CONFIT, Oct 2022, Grenoble, France Communication dans un congrès cea-04717041v1
Unraveling the Thermodynamics Properties of Rare-earth Reverse Micelle Involved in Separation Chemistry: A Multi-scale Approach Magali Duvail,Philippe Guilbaud,Simon Stemplinger,Thomas Zemb,Jean-François Dufrêche 17th Conference of International Association of Colloid and Interface Scientists (IACIS 2022), Jun 2022, Brisbane (AU), Australia Communication dans un congrès hal-04693294v1
Origin of the second harmonic generation signal at the water-air interface Y. Foucaud,Rodolphe Vuilleumier,Bertrand Siboulet,Magali Duvail,Olivier Diatet al. European Colloid and Interface Society ECIS 2021, Sep 2021, Athènes, Greece Communication dans un congrès hal-04695950v1
Separation chemistry: Towards a predictive model of the liquid-liquid extraction using multiscale approaches Magali Duvail,Michael Bley,Mario Špadina,Steven van Damme,Yushu Chenet al. Wébinaire du GDR Promethée « Calculs d’équilibres thermodynamiques pour les procédés hydrométallurgiques : état de l’art et défis », Marie Le Page Mostefa; Laurent Cassayre, Nov 2021, Conférence en ligne, France Communication dans un congrès hal-04693335v1
Precipitation induced by the cooperative effects of nanoconfinement and ion pair formation D. Rebiscoul,Kunyu Wang,S. Tardif,Vincent Larrey,Bertrand Sibouletet al. CRYSPom VII, Jun 2020, Pau (France), France Communication dans un congrès cea-04716961v1
Experimental practice and mesoscopic approach for better models and implementation of strategic metal recycling by colloidal aggregates Jean-Christophe P. Gabriel,J. Duhamet,Jean-François Dufrêche,S Pellet-Rostaing,Thomas Zemb 33rd Conference of the European Colloid and Interface Society, the European Colloid and Interface Society, Sep 2019, Leuven (Belgique), Belgium Communication dans un congrès hal-04735208v1
Thermodynamic approach of uranium(VI) extraction by N,N-(2-ethylhexyl)isobutyramide M. Coquil,Nathalie Boubals,Magali Duvail,Jean-François Dufrêche,Mc. Charbonnel Summer School CCP5, Jul 2018, Lancaster, United Kingdom Communication dans un congrès cea-02338617v1
Activity Coecients from Liquid-Vapor Interfaces: A Molecular Dynamic Approach for Separation Chemistry Michael Bley,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Interfaces Against Pollution IAP 2018, Jun 2018, La Grande Motte, France Communication dans un congrès hal-04696001v1
Molecular Simulation of Phase Diagrams from the Osmotic Equilibrium Method: Vapor Pressure and Activities in Complex Solutions Michael Bley,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Tenth Liblice Conference on the Statistical Mechanics of Liquids, Jun 2018, Srni, Czech Republic Communication dans un congrès hal-04695997v1
Identification des contributions enthalpiques à l'origine de la sélectivité en extraction liquide/liquide M. Coquil,N. Boubals,Jean-François Dufrêche,M.-C. Charbonnel Journées Scientifiques de Marcoule, Jun 2018, Bagnols Sur Cèze, France Communication dans un congrès cea-02338593v1
Phenomena associated to the transfer of rare earths involved in separation chemistry: from the molecular modelling to chemical engineering Magali Duvail,Philippe Guilbaud,M. Bley,S. van Damme,Y.-S. Chenet al. International Conference on Science, Technology and Applications of Rare Earths (ICSTAR-2018), Sep 2018, Tirupati, India Communication dans un congrès hal-02004068v1
Role of alkali cation in early stage of oligomerization in silicate fluids: a molecular dynamics study Amaury Coste,Arnaud Poulesquen,Jean-François Dufrêche,Magali Duvail Balard Conference, Jun 2018, Montpellier, France Communication dans un congrès hal-01999458v1
Role of alkali cation in early stage of oligomerization in silicate fluids: a molecular dynamics study Amaury Coste,Arnaud Poulesquen,Jean-François Dufrêche,Magali Duvail Interfaces Against Pollution 2018, Jun 2018, La Grande Motte, France Communication dans un congrès hal-02276181v1
What governs the stability of reverse micelles in rare-earth separation: a chemical model based on a multiscale approach Magali Duvail,Yushu Chen,Steven van Damme,Philippe Guilbaud,Thomas Zembet al. 7th EuCheMS Chemistry Congress, Aug 2018, Liverpool, United Kingdom Communication dans un congrès hal-04693367v1
Phenomena associated to the transfer of rare earth involved in separation chemistry: from the molecular modelling to the chemical engineering Magali Duvail,Philippe Guilbaud,Michael Bley,Steven van Damme,Yushu Chenet al. Balard Conference 2018, Jun 2018, Montpellier, France Communication dans un congrès hal-04693379v1
Activity Coefficients from Vapor-Liquid Interfaces: A Molecular Dynamics Approach for Separation Chemistry M. Bley,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Journees Scientifiques de Marcoule (JSM - 2018), Jun 2018, Bagnols Sur Ceze, France Communication dans un congrès cea-02338585v1
Theory at the ICSM and a simple description of charged liquid solid interfaces: an insight from molecular dynamics Jean-François Dufrêche,Magali Duvail,Bertrand Siboulet,Mario Špadina,Michael Bleyet al. Annual retreat of the biomaterials department of the Max Planck Institute of Colloids and Interfaces, May 2017, Tabarz, Germany Communication dans un congrès hal-04814220v1
Simulating Osmotic Equilibria: A New Tool to Calculate Osmotic and Activity Coefficients in Concentrated Solutions Michael Bley,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Thermodynamics 2017, Sep 2017, Edinburgh, United Kingdom Communication dans un congrès hal-04696016v1
From Molecular Dynamics Simulation of Liquid-Vapor Interfaces to Activity Coefficients Michael Bley,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Balard Post(PhD)2 Days, Dec 2017, Montpellier, France Communication dans un congrès hal-04696007v1
Experimental and modeling study of fission products and minor actinides extraction with N,N-dialkylamides P. Moeyaert,C. Sorel,M. Miguirditchian,Jean-François Dufrêche ATALANTE 2016 - Nuclear Chemistry for Sustainable Fuel Cycles, Jun 2016, Montpellier, France Communication dans un congrès hal-02416310v1
Extraction des produits de fission et actinides mineurs par les monoamides: approche expérimentale et modélisation P. Moeyaert,C. Sorel,M. Miguirditchian,T. Dumas,D. Guillaumontet al. Journées Scientifiques de Marcoule 2016, Jun 2016, Bagnols sur cèze, France Communication dans un congrès hal-02441906v1
Study of aggregation phenomena in the organic phase for separation chemistry M. Bley,Magali Duvail,P. Guilbaud,Jean-François Dufrêche 16emes Journees Scientifiques de Marcoule (JSM - 2016), Jun 2016, Bagnols-Sur-Ceze, France Communication dans un congrès hal-02441923v1
Condensation at a charged surface a molecular dynamics investigation of the Stern layer for water-silica interfaces S. Hocine,R. Hartkamp,B. Siboulet,B. Coasne,Jean-François Dufrêcheet al. Ballard Conference 2016, Apr 2016, Montpellier, France Communication dans un congrès cea-02431797v1
A macroscopic and molecular study for a complete description of technetium (VII) and uranium (VI) co-extraction mechanism with monoamides P. Moeyaert,C. Sorel,T. Dumas,D. Guillaumont,M. Miguirditchianet al. RANC 2016 - The 1st International Conference on Radioanalytical and Nuclear Chemistry, Apr 2016, Budapest, Hungary Communication dans un congrès cea-02442334v1
Condensation d'ion sur une surface chargee analyse par dynamique moleculaire de la couche de Stern pour une interface eau-silice S. Hocine,R. Hartkamp,B. Siboulet,M. Duvail,B. Coasneet al. 5emes Journées de l’Association Française de l’Adsorption Paris, Feb 2016, Paris, France Communication dans un congrès cea-02431817v1
Mini-fluidics to determine selectivity in free energy of ion phase transfer liquid-liquid confronted to parameter-free theories Jean Christophe Gabriel,Johannes Theisen,Wilk Andreas,Kokoric Vjekoslav,Julien Reyet al. 6th International Colloids Conference, Jun 2016, Berlin, Germany Communication dans un congrès cea-01555759v1
Phenomena associated to the transfer of rare earth involved in separation chemistry: from the molecular modelling to the chemical engineering Magali Duvail,Philippe Guilbaud,Thanh-Nghi Nguyen,Michael Bley,Anwesa Karmakaret al. CEFIPRA Workshop on Challenges in the Processing and Recycling of Rare-earth, Jul 2016, Pune, India Communication dans un congrès hal-04693420v1
Etude expérimentale et modélisation des équilibres d'extraction des produits de fission par les monoamides P. Moeyaert,C. Sorel,M. Miguirditchian,Jean-François Dufrêche,E. Bosseet al. Journées Scientifiques de Marcoule (JSM 2015), Jun 2015, Marcoule, France Communication dans un congrès cea-02492559v1
A high throughput method to determine selectivity of ion phase transfer in multi- component chemical systems: towards predictive modelling of extraction Johannes Theisen,Julien Rey,Christophe Penisson,Jean Duhamet,Véronique Duboiset al. PACIFICHEM, Nov 2015, Honolulu, Hawai, United States Communication dans un congrès cea-01555685v1
Multiscale modelling of ions in solutions: a challenge for the separation chemistry Magali Duvail,Thanh-Nghi Nguyen,John Jairo Molina,Yushu Chen,Steven van Dammeet al. 34th International Conference on Solution Chemistry, Aug 2015, Prague, Czech Republic Communication dans un congrès hal-04693594v1
An instrumented microfluidic tool for complex fluid phase diagram determination: Enabling in-line and real-time screening of solvent extraction processes J. Theisen,J. Rey,C. Penisson,A. Wilk,V. Kokoricet al. IFP Energie Nouvelles 2015, Nov 2015, Rueil-Malmaison, France Communication dans un congrès cea-01555693v1
Multiscale Modeling of Ions in Solution Magali Duvail,Thanh-Nghi Nguyen,John Jairo Molina,Steven van Damme,Yushu Chenet al. Telluride Reseach Science Center Workshop "Ions in Aqueous Solutions and Molecular Biology: Theory, simulation, modeling", Jul 2014, Telluride (CO), United States Communication dans un congrès hal-04693844v1
[Invited] Water electrolysis and energy harvesting with 0D ion-sensitive field-effect transistors Nicolas Clément,K. Nishiguchi,Jean-François Dufrêche,David Guérin,A. Fujiwaraet al. 1st International Symposium on Energy Challenges and Mechanics, ECM1, 2014, Aberdeen, Scotland, United Kingdom Communication dans un congrès hal-01055001v1
Thermodynamics properties of microemulsions involved in ion separation methods: a mesoscopic modelling approach Magali Duvail,Thomas Zemb,Lise Arleth,Jean-François Dufrêche Thermodynamics Conference, Sep 2013, Manchester, United Kingdom Communication dans un congrès hal-04693846v1
Modélisation mésoscopique des microémulsions Magali Duvail,Jean-François Dufrêche,Thomas Zemb,Lise Arleth,Stjepan Marčelja Atelier CFCAM "Modélisation multi-échelle", Feb 2013, Paris, France Communication dans un congrès hal-04693858v1
Transducing energy loss in water electrolysis with a 0D ion-sensitive field-effect transistor N. Clement,K. Nishiguchi,Jean-François Dufrêche,David Guérin,G. Patriarcheet al. American Physical Society March Meeting, APS March Meeting 2013, 2013, Baltimore, MD, United States Communication dans un congrès hal-00811785v1
One-by-one H2 bubble counting during water electrolysis with a chemical electrometer N. Clement,K. Nishiguchi,Jean-François Dufrêche,David Guérin,A. Fujiwaraet al. 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 Communication dans un congrès hal-00797684v1
New coarse-graining procedure for the dynamics of charged nanoparticles in solution Marie Jardat,V. Dahirel,Jean-François Dufrêche,P. Turq SoCoBiM 2007: Soft, Complex, and Biological Matter Conference, Satellite Conference of IUPAP Statphys 23, Jul 2007, Terrasini, Italy Communication dans un congrès hal-00167531v1
Dynamics in clays P. Turq,V. Marry,E. Dubois,Jean-François Dufrêche,S. Durand-Vidalet al. IUTAM Symposium Swelling and shrinking of porous materials, Aug 2007, Petropolis, Brazil Communication dans un congrès hal-00169797v1
Coarse-Graning for Montmorillonite Clay Jean-François Dufrêche,Virginie Marry,Benjamin Rotenberg,Pierre Turq,Jean-Pierre Hansenet al. IUTAM Symposium on Swelling and Shrinking of Porous Materials: From Colloid Science to Poro-Mechanics, Aug 2007, Petropolis, Brazil. pp.0 Communication dans un congrès hal-00173447v1
Interlayer/micropore Exchange of water and ions in clays: A molecular dynamics study Benjamin Rotenberg,Virginie Marry,Rodolphe Vuilleumier,Natalie Malikova,Jean-François Dufrêcheet al. journées du GDR Paris, Mar 2007, Avignon, France Communication dans un congrès hal-00173467v1
Ions at clay particle surfaces and ionic exchange: a molecular dynamics study Benjamin Rotenberg,Jean-François Dufrêche,Virginie Marry,Eric Giffaut,Biman Bagchiet al. Mobile Fission and Activation Products in Nuclear Waste Disposal, international OECD/NEA workshop, Jan 2007, La Baule, France Communication dans un congrès hal-00173427v1
Dynamics of Ions in Concentrated Electrolyte Solutions Jean-François Dufrêche,Olivier Bernard,Pierre Turq,Biman Bagchi 30th International Conference on Solution Chemistry, Jul 2007, Perth, Australia Communication dans un congrès hal-00173451v1
Mesoscopic study of nanocolloidal suspensions: a two-scales modelling of microions P. Turq,V. Dahirel,Marie Jardat,Jean-François Dufrêche 30th ICSC Conference, Jul 2007, Perth, Australia Communication dans un congrès hal-00169799v1
Transport dans les argiles: de la modélisation microscopique au processus de diffusion Benjamin Rotenberg,Virginie Marry,Natalie Malikova,Jean-François Dufrêche,Pierre Turq journées du GDR Paris, Mar 2006, Avignon, France Communication dans un congrès hal-00173472v1
Apparent charge in colloids, electrolytes and polyelectrolytes. Pierre Turq,Jean-François Dufrêche,Olivier Bernard,Serge Durand-Vidal,Marie Jardat International conference on electrokinetic phenomena. ELKIN 2006, Jun 2006, Nancy, France Communication dans un congrès hal-00173311v1
Multiscale Dynamics in Ionic Media P. Turq,Olivier Bernard,Agathe Cadène,Jean-François Dufrêche,S. Durand-Vidalet al. 29th International Conference on Solution Chemistry, Aug 2005, Portoroz, Slovenia Communication dans un congrès hal-00173049v1
Etude d'électrodes p-Si et n-Si dans HF dilué par spectroscopie d'impédance électrochimique I. Darolles,M. Chemla,D. Devilliers,Jean-François Dufrêche Journées d'électrochimie 2005, Jul 2005, Saint Malo, France. pp.28 Communication dans un congrès hal-00173346v1
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. Serge Durand-Vidal,Emmanuelle Dubois,Katy Perrigaud,Ivan T. Lucas,Gaelle Rogeret 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., Aug 2005, Portoroz, Slovenia Communication dans un congrès hal-00173066v1
Analytical theories of transport in concentrated electrolyte solutions from the MSA. Olivier Bernard,Jean-François Dufrêche,Serge Durand-Vidal,Pierre Turq 29th International Conference on Solution Chemistry, Aug 2005, Portoroz, Slovenia Communication dans un congrès hal-00173303v1
Dynamics in clays Natalie Malikova,Virginie Marry,Jean-François Dufrêche,Pierre Turq Conference on Computational Physics 2004, Sep 2004, Gennes, Italy Communication dans un congrès hal-00173476v1
Molecular hydrodynamics: from Kubo to Smoluchowski, Example of a Montmorillonite Clay Jean-François Dufrêche,Natalie Malikova,Virginie Marry,Frédéric Grün,Marie Jardatet al. Slow Dynamics in Complex Systems: 3rd International Symposium, Nov 2003, Sendai, Japan. pp.468 Communication dans un congrès hal-00173396v1
Microscopic simulation of montmorillonite by Monte Carlo and molecular dynamics Natalie Malikova,Virginie Marry,Jean-François Dufrêche,Pierre Turq Euroclay 2003 Conference, Jun 2003, Modène, Italy Communication dans un congrès hal-00173452v1
Thermodynamique et transport des ions et du solvant en solution et en milieu confiné Pierre Turq,Jean-François Dufrêche,Olivier Bernard,Virginie Marry,Marie Jardat Journées d'Électrochimie 2003, Jun 2003, Poitiers, France Communication dans un congrès hal-00173454v1
Microscopic simulation of montmorillonite Natalie Malikova,Virginie Marry,Christian M. Simon,Jean-François Dufrêche,Pierre Turq 2ème Colloque du Groupe Français des Argiles : Recherche académique et développements industriels, Apr 2003, Orléans, France Communication dans un congrès hal-00173455v1
Hydrodynamique moléculaire dans les milieux poreux chargés : De Kubo à Smoluchowski Pierre Turq,Jean-François Dufrêche,Virginie Marry Journées MOMAS Modélisation micro-macro des phénomènes couplés de transport-chimie-déformation en milieux argileux, Jan 2003, Nancy, France Communication dans un congrès hal-00173457v1
Dynamics and transport in charged porous media Pierre Turq,Marie Jardat,Olivier Bernard,Jean-François Dufrêche,Virginie Marry Congrès ELKIN 2000, Oct 2002, Cracovie, Poland Communication dans un congrès hal-00173458v1
Transport of water and counterions in montmorillonite Pierre Turq,Virginie Marry,Jean-François Dufrêche 27th International Conference on solution chemistry (27 ICSC), Sep 2001, Vaals, Netherlands Communication dans un congrès hal-00173464v1
Transport of water and counterions in montmorillonite Pierre Turq,Virginie Marry,Jean-François Dufrêche,Olivier Bernard workshop CECAM "Chemical potential, solubility and speciation in ionic solutions", Oct 2001, Lyon, France Communication dans un congrès hal-00173479v1
L'eau et les ions dans les montmorillonites Pierre Turq,Virginie Marry,Jean-François Dufrêche,Olivier Bernard,Thierry Cartailler Journées du GDR Practis, Feb 2001, Villeneuve-les-Avignon, France Communication dans un congrès hal-00173480v1
Transport of water and counterions in porous charged media Pierre Turq,Virginie Marry,Jean-François Dufrêche,Olivier Bernard Horizons in complex systems, Dec 2001, Messine, Italy Communication dans un congrès hal-00173463v1
Electrokinetic phenomena in montmorillonite Virginie Marry,Jean-François Dufrêche,Olivier Bernard,Pierre Turq 2000 Fall meeting Symposium Proceeding, 2000, Boston, United States. pp.T7.1.1-T7.1.6 Communication dans un congrès hal-00173363v1
Models for electrokinetic phenomena in montmorillonite Pierre Turq,Virginie Marry,Jean-François Dufrêche,Olivier Bernard Congrès ELKIN 2000, Oct 2000, Dresde, Germany Communication dans un congrès hal-00173482v1

Poster de conférence (28)

Simulation of the equilibrium and the transport of ions at the liquid-liquid interfaces Lara Ziberna,Philippe Guilbaud,Jean-François Dufrêche,Magali Duvail 38th Conference of the European Colloid & Interface Society, Sep 2024, Copenaghen, Denmark Poster de conférence hal-04695743v1
Stability of colloidal organic dispersions predicted by multi-scale modelling Gustave Szczepan,Magali Duvail,Jean-François Dufrêche Journées Scientifiques de l’ISEC 2024, Jun 2024, Bagnols sur Cèze, France Poster de conférence hal-04692718v1
Structure and chemistry of uranium dioxide (UO2) in water from first-principles molecular dynamics simulations (poster) Geoffroy Rodrik,Yann Foucaud,Bertrand Siboulet,Jean-François Dufrêche Journée des doctorants de l’ICSM, Apr 2024, Bagnols sur Cèze, France Poster de conférence hal-04954602v1
Structure and chemistry of uranium dioxide (UO2) in water from first-principles molecular dynamics simulations (poster) Geoffroy Rodrik,Yann Foucaud,Bertrand Siboulet,Jean-François Dufrêche Journées scientifiques de l’ISEC, Jun 2024, Bagnols sur Cèze, France Poster de conférence hal-04954619v1
Stability of colloidal organic dispersions predicted by multi-scale modelling Gustave Szczepan,Magali Duvail,Jean-François Dufrêche Journée des doctorants de l'ICSM, Apr 2024, Bagnols sur Cèze, France Poster de conférence hal-04692711v1
Molecular prediction of water transfer in water-octanol separation systems Erwann Guillam,Magali Duvail,Jean-François Dufrêche 38th Conference of the European Colloid & Interface Society, Sep 2024, Copenhague, Denmark Poster de conférence hal-04693043v1
Molecular prediction of ion transfer for liquid-liquid extraction Erwann Guillam,Magali Duvail,Jean-François Dufrêche CCP5 Summer School 2023, Jul 2023, Durham, United Kingdom Poster de conférence hal-04692746v1
Utilisation de vehicule-test pour la caractérisation des interfaces solide-liquide en milieu nanoconfiné – Vers une description de l’effet spécifique des ions en confinement D. Rebiscoul,Markus Baum,Hassan Khoder,Kunyu Wang,S. Tardifet al. Colloque Rayons X & Matière, Nov 2023, Bordeaux, France Poster de conférence hal-04735263v1
Simulation of the equilibrium and the transport of ions at the liquid-liquid interfaces Lara Ziberna,Philippe Guilbaud,Jean-François Dufrêche,Magali Duvail CCP5 Summer school 2023, Jul 2023, Durham, United Kingdom Poster de conférence hal-04695718v1
Simulation of the equilibrium and the transport of ions at the liquid-liquid interfaces Lara Ziberna,Philippe Guilbaud,Jean-François Dufrêche,Magali Duvail Journée Scientifiques ISEC, Sep 2023, Marcoule, France Poster de conférence hal-04695711v1
Specific ion behavior in single-digit nanoconfinement D. Rebiscoul,Hassan Khoder,S. Tardif,Zijie Lu,Vincent Larreyet al. ECIS - Conference of the European Colloid and Interface Society, Sep 2023, Naples, Italy Poster de conférence hal-04735237v1
Simulation of the equilibrium and the transport of ions at the liquid-liquid interfaces Lara Ziberna,Philippe Guilbaud,Jean-François Dufrêche,Magali Duvail Journée des thésards ICSM, Apr 2023, Marcoule, France Poster de conférence hal-04695728v1
Molecular prediction of ion transfer for liquid-liquid extraction Erwann Guillam,Magali Duvail,Jean-François Dufrêche Journée des thésards de l'ICSM, Apr 2023, Marcoule, France Poster de conférence hal-04692731v1
Molecular prediction of ion transfer for liquid-liquid extraction Erwann Guillam,Magali Duvail,Jean-François Dufrêche Journées Scientifiques de l'ISEC, Sep 2023, Marcoule, France Poster de conférence hal-04692766v1
Hydration mechanisms of uranium dioxide (UO2): new insights from ab initio molecular dynamics simulations Y. Foucaud,Solène Bertolotto,Stephanie Szenknect,Magali Duvail,Bertrand Sibouletet al. Balard Conference 2021, Jun 2021, Montpellier, France Poster de conférence hal-04696078v1
A Thermodynamic Model of Non-Ionic Surfactants’ Micellization in the Presence of Polyoxometalates Luc Girard,Jean-François Dufrêche,Pierre Bauduin,Bappaditya Naskar,Olivier Diat 33rd Conference of the European Colloid and Interface Society, Sep 2019, Leuven (Belgique), Belgium Poster de conférence hal-04716782v1
Multiscale Modelling of Liquid/Liquid Extraction: Study of the Organic Phase and the Liquid/Liquid Interface Marin Vatin,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche CCP5 summer school, Jul 2019, Durham, United Kingdom Poster de conférence hal-04695671v1
Investigation of the role of alkali cation in early stage of oligomerization in silicate fluids: a molecular dynamics study Amaury Coste,Olivier Diat,Arnaud Poulesquen,Jean-François Dufrêche,Magali Duvail 7th EuCheMS Chemistry Congress, Aug 2018, Liverpool, United Kingdom Poster de conférence hal-02142629v1
Adsorption along the alkali series on silica surfaces: reversal of adsorption selectivity with pH studied with molecular dynamics Bertrand Siboulet,Jean-François Dufrêche,Remco Hartkamp Journées Modélisation Théorie Simulation 2018, May 2018, Paris, France Poster de conférence hal-04810525v1
Modelling phase transfer of electrolytes in emulsified microemulsions Magali Duvail,Simon Gourdin-Bertin,Jean-François Dufrêche,Thomas Zemb European Colloid and Interface Society (ECIS 2018), Sep 2018, Ljubljana, Slovenia Poster de conférence hal-04693900v1
Molecular modelling of silicate fluids applied to geopolymers Amaury Coste,Jean-François Dufrêche,Magali Duvail CCP5 summer school, Jul 2017, Lancaster, United Kingdom Poster de conférence hal-04695563v1
Simulating osmotic equilibria A new tool to calculate activity coefficients in solution M. Bley,Magali Duvail,Philippe Guilbaud,Jean-François Dufrêche Les 17èmes Journées Scientifiques de Marcoule, Jun 2017, Bagnols Sur Ceze, France. CEA Marcoule, 2017 Poster de conférence hal-02417800v1
Decontamination of solution containing radioactive strontium by sodium nanotitanate Arnaud Villard,Bertrand Siboulet,Guillaume Toquer,Aurélie Merceille,Agnès Grandjeanet al. Summer School 2017 CCP5 Cooperative Computational Program No5, Jul 2017, Lancaster, United Kingdom Poster de conférence hal-04810774v1
Molecular modelling of aqueous alumino-silicates fluids for ground stabilization Amaury Coste,Jean-François Dufrêche,Magali Duvail European Conference of Physical Chemistry (ECPC) 2017, Sep 2017, Borgo, France Poster de conférence hal-04695561v1
Adsorption along the alkali series on silica surfaces : reversal of adsorption selectivity with pH studied with molecular dynamics Sarah Hocine,Bertrand Siboulet,Magali Duvail,Remco Hartkamp,Benoit Coasneet al. Journées annuelles de l'Association Française de l'Adsorption, Feb 2016, Paris, France Poster de conférence hal-04810819v1
Specificity of ionic adsorption in silicas studied with molecular dynamics and potential of mean force S. Hocine,Bertrand Siboulet,M. Duvail,Benoit Coasne,P. Turqet al. LowPerm 2015 - Low permeability media and nanoporous materials from characterisation to modelling, Jun 2015, Rueil Malmaison, France. 2015 Poster de conférence cea-02491621v1
Ionic specificity of adsorption on silica surfaces : an analysis with molecular dynamics and potential of mean force Bertrand Siboulet,Sarah Hocine,Magali Duvail,Benoit Coasne,Pierre Turqet al. Journées scientifiques de l'association française d'adsorption, Feb 2015, Paris, France Poster de conférence hal-04783222v1
Microemulsions: a new model for organic phases involved in ion separation methods Magali Duvail,Jean-François Dufrêche,Thomas Zemb Emulsification : Modélisation, Technologies et Applications, Nov 2012, Lyon, France Poster de conférence hal-04693919v1

Chapitre d'ouvrage (3)

Extractant Molecules as Hosts in Surfactant Monolayers or Bilayers Olivier Diat,Pierre Bauduin,Thomas Zemb,Jean-François Dufrêche,Daniel Meyer Liposomes, Lipid Bilayers and Model Membranes: From Basic Research to Application, 2014, 9781466507098 Chapitre d'ouvrage hal-02003961v1
Traitement du combustible nucléaire usé et déchets Christian Simon,Jean-François Dufrêche,Christophe Poinssot L'énergie à découvert, CNRS Editions, 2013, 978-2-271-07678-6 Chapitre d'ouvrage hal-02004039v1
Stiff and flexible water-poor microemulsions: disconnected and bicontinuous microstructures, their phase diagrams and scattering properties Magali Duvail,Jean-François Dufrêche,Lise Arleth,Thomas Zemb Colloid and Interface Chemistry for Nanotechnology, pp.503-528, 2013, 9781466569058 Chapitre d'ouvrage hal-02003980v1

Thèse (1)

Dynamique des Ions en Solution et aux interfaces : Modèles et Applications Jean-François Dufrêche Chimie théorique et/ou physique. Université Pierre et Marie Curie - Paris VI, 2001. Français. ⟨NNT : ⟩ Thèse tel-00869532v1