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Jean-François Dufrêche

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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 Dufrêche
Journal of Chemical Theory and Computation, In press, ⟨10.1021/acs.jctc.3c01162⟩
Journal articles hal-04417824v1

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⟩
Journal articles hal-04156138v1

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⟩
Journal articles hal-04156169v1
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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⟩
Journal articles hal-03984792v1

Individual adsorption of low volatility pheromones: Amphiphilic molecules on a clean water–air interface

L. Jami , T. Zemb , J. Casas , J-F. Dufrêche
Journal of Chemical Physics, 2022, 157 (9), pp.094708. ⟨10.1063/5.0110264⟩
Journal articles hal-03876229v1
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How Temperature Rise Can Induce Phase Separation in Aqueous Biphasic Solutions

Gautier Meyer , Ralf Schweins , Tristan Youngs , Jean-François Dufrêche , Isabelle Billard
Journal of Physical Chemistry Letters, 2022, 13 (12), pp.2731-2736. ⟨10.1021/acs.jpclett.2c00146⟩
Journal articles hal-03632709v1

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⟩
Journal articles hal-03325952v1

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 Zemb
Journal of Molecular Liquids, 2022, 349, pp.118409. ⟨10.1016/j.molliq.2021.118409⟩
Journal articles hal-03633060v1

Why Local and Non-local Terms are Essential for Second Harmonic Generation Simulation?

Y. Foucaud , Jean-François Dufrêche , Bertrand Siboulet , Magali Duvail , Alban Jonchere
Physical Chemistry Chemical Physics, 2022, 24, pp.12961-12973. ⟨10.1039/D1CP05437F⟩
Journal articles 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 Zemb
Journal of Molecular Liquids, 2022, 349, pp.118487. ⟨10.1016/j.molliq.2022.118487⟩
Journal articles hal-03633067v1

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-Rostaing
Solvent Extraction and Ion Exchange, 2022, 40 (1-2), pp.86-105. ⟨10.1080/07366299.2021.1899606⟩
Journal articles hal-03201970v1
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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⟩
Journal articles hal-03325902v1

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⟩
Journal articles hal-03436543v1

Experimentally probing ionic solutions in single-digit nanoconfinement

D. Rebiscoul , Markus Baum , Kunyu Wang , S. Tardif , Vincent Larrey
Journal of Colloid and Interface Science, 2022, 614, pp.396-404. ⟨10.1016/j.jcis.2022.01.128⟩
Journal articles hal-03542325v1

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-Rostaing
Solvent Extraction and Ion Exchange, 2022, 40 (1-2), pp.106-139. ⟨10.1080/07366299.2021.1899614⟩
Journal articles hal-03201983v1

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⟩
Journal articles hal-03087007v1

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⟩
Journal articles 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⟩
Journal articles cea-03468071v1

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⟩
Journal articles hal-03325974v1
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Deciphering Second Harmonic Generation Signals

Y. Foucaud , Bertrand Siboulet , Magali Duvail , Alban Jonchere , Olivier Diat
Chemical Science, 2021, 12 (45), pp.15134-15142. ⟨10.1039/D1SC03960A⟩
Journal articles hal-03411692v1

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⟩
Journal articles hal-03120483v1

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⟩
Journal articles hal-03325911v1

Phase separation of binary mixtures induced by soft centrifugal fields

Thomas Zemb , Rose Rosenberg , Stjepan Marčelja , Dirk Haffke , Jean-François Dufrêche
Physical Chemistry Chemical Physics, 2021, 23 (14), pp.8261-8272. ⟨10.1039/D0CP01527J⟩
Journal articles 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⟩
Journal articles hal-03507801v1
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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 Đaković
ACS Applied Nano Materials, 2021, 4 (2), pp.1434-1444. ⟨10.1021/acsanm.0c02960⟩
Journal articles hal-03120543v1
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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⟩
Journal articles hal-02924931v1
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Deformation of a liquid near an AFM tip: molecular dynamics approach

Lolita Hilaire , Bertrand Siboulet , Sophie Charton , René Ledesma-Alonso , Dominique Legendre
Langmuir, 2020, 36 (30), pp.8993-9004. ⟨10.1021/acs.langmuir.0c00023⟩
Journal articles hal-02924910v1
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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⟩
Journal articles hal-02924943v1
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A thermodynamic model of non-ionic surfactants' micellization in the presence of polyoxometalates

Luc Girard , Bappaditya Naskar , Jean-François Dufrêche , Jonathan Lai , Olivier Diat
Journal of Molecular Liquids, 2019, 293, pp.111280. ⟨10.1016/j.molliq.2019.111280⟩
Journal articles hal-02379312v1

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⟩
Journal articles hal-02171608v1

Preferential Adsorption in Mixed Electrolytes Confined by Charged Amorphous Silica

Max Döpke , Johannes Lützenkirchen , Othonas Moultos , Bertrand Siboulet , Jean-François Dufrêche
Journal of Physical Chemistry C, 2019, 123 (27), pp.16711-16720. ⟨10.1021/acs.jpcc.9b02975⟩
Journal articles hal-02379210v1

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⟩
Journal articles hal-02494178v1

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⟩
Journal articles hal-02050534v1

Measuring surface charge: Why experimental characterization and molecular modeling should be coupled

Remco Hartkamp , Anne-Laure Biance , Li Fu , Jean-François Dufrêche , Oriane Bonhomme
Current Opinion in Colloid & Interface Science, 2018, 37, pp.101 - 114. ⟨10.1016/j.cocis.2018.08.001⟩
Journal articles 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. Nishiguchi
Nature Materials, 2018, 17 (5), pp.464 - 470. ⟨10.1038/s41563-017-0016-y⟩
Journal articles cea-01883606v1

Charge Properties of TiO2 Nanotubes in NaNO3 Aqueous Solution

Mario Špadina , Simon Gourdin-Bertin , Goran Dražić , Atiđa Selmani , Jean-François Dufrêche
ACS Applied Materials & Interfaces, 2018, 10 (15), pp.13130-13142. ⟨10.1021/acsami.7b18737⟩
Journal articles hal-01999589v1

Sorption pH dependance of strontium/calcium by sodium nonatitanate

Arnaud Villard , Guillaume Toquer , Bertrand Siboulet , Philippe Trens , Agnès Grandjean
Chemosphere, 2018, 202, pp.33 - 39. ⟨10.1016/j.chemosphere.2018.02.017⟩
Journal articles hal-01789826v1
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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 Theisen
Molecular Physics, 2018, 116 (15-16), pp.2009-2021. ⟨10.1080/00268976.2018.1444209⟩
Journal articles 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⟩
Journal articles hal-01998392v1
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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⟩
Journal articles hal-01949521v1

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⟩
Journal articles hal-01998379v1

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⟩
Journal articles hal-01998185v1

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⟩
Journal articles hal-02000032v1

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 Zemb
Soft Matter, 2017, 13 (33), pp.5518-5526. ⟨10.1039/C7SM00733G⟩
Journal articles 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⟩
Journal articles hal-02000040v1

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-Rostaing
Langmuir, 2017, 33 (46), pp.13168-13179. ⟨10.1021/acs.langmuir.7b02068⟩
Journal articles 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
Journal of Chemical Physics, 2017, 146 (14), pp.144701. ⟨10.1063/1.4979879⟩
Journal articles hal-02000024v1

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⟩
Journal articles hal-01999620v1

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⟩
Journal articles hal-01278241v1

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⟩
Journal articles hal-02000058v1

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. Muller
Langmuir, 2016, 32 (49), pp.13095-13105. ⟨10.1021/acs.langmuir.6b02343⟩
Journal articles hal-02000053v1

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 Coasne
Journal of Physical Chemistry C, 2016, 120 (2), pp.963-973. ⟨10.1021/acs.jpcc.5b08836⟩
Journal articles hal-02000098v1
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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⟩
Journal articles hal-01484130v1
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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⟩
Journal articles hal-01215457v1

Modeling and Speciation Study of Uranium(VI) and Technetium(VII) Coextraction with DEHiBA

Pauline Moeyaert , Thomas Dumas , Dominique Guillaumont , Kristina Kvashnina , Christian Sorel
Inorganic Chemistry, 2016, 55 (13), pp.6511-6519. ⟨10.1021/acs.inorgchem.6b00595⟩
Journal articles hal-02000078v1

Solvent Extraction: Structure of the Liquid-Liquid Interface Containing a Diamide Ligand

Ernesto Scoppola , Erik B Watkins , Richard H. Campbell , Oleg Konovalov , Luc Girard
Angewandte Chemie International Edition, 2016, 55 (32), pp.9326-9330. ⟨10.1002/anie.201603395⟩
Journal articles hal-02000071v1

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⟩
Journal articles hal-02000234v1

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⟩
Journal articles hal-02000133v1

Recycling metals by controlled transfer of ionic species between complex fluids: en route to “ienaics”

Thomas Zemb , Caroline Bauer , Pierre Bauduin , Luc Belloni , Christophe Dejugnat
Colloid and Polymer Science, 2015, 293 (1), pp.1-22. ⟨10.1007/s00396-014-3447-x⟩
Journal articles hal-01187792v1

Density and activity of pertechnetic acid aqueous solutions at T = 298.15 K

P. Moeyaert , L. Abiad , C. Sorel , Jean-François Dufrêche , A. Ruas
Journal of Chemical Thermodynamics, 2015, 91, pp.94-100. ⟨10.1016/j.jct.2015.07.006⟩
Journal articles hal-02000113v1

Multi-scale modelling of uranyl chloride solutions

Thanh-Nghi Nguyen , Magali Duvail , Arnaud Villard , John Jairo Molina , Philippe Guilbaud
Journal of Chemical Physics, 2015, 142 (2), pp.024501. ⟨10.1063/1.4905008⟩
Journal articles hal-02000182v1
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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⟩
Journal articles 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⟩
Journal articles hal-03675822v1

Strontium selectivity in sodium nonatitanate Na4Ti9O20·xH2O

Arnaud Villard , Bertrand Siboulet , Guillaume Toquer , Aurélie Merceille , Agnès Grandjean
Journal of Hazardous Materials, 2015, 283, pp.432-438. ⟨10.1016/j.jhazmat.2014.09.039⟩
Journal articles hal-02000305v1
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Pierre Turq, an inspirational scientist in charge and at interfaces

Bernard Ancian , Olivier Bernard , Jean Chevalet , Vincent Dahirel , Didier Devilliers
Molecular Physics, 2014, 112 (9-10), pp.1213--1221. ⟨10.1080/00268976.2014.885094⟩
Journal articles hal-01484053v1

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⟩
Journal articles hal-01472416v1

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-Rostaing
Solvent Extraction and Ion Exchange, 2014, 32 (6), pp.620-636. ⟨10.1080/07366299.2014.924311⟩
Journal articles hal-01999333v1
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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⟩
Journal articles hal-00863442v1
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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. Dubois
Molecular Physics, 2014, 112 (9-10), pp.1463-1471. ⟨10.1080/00268976.2014.906672⟩
Journal articles hal-01083559v1

Reverse aggregate nucleation induced by acids in liquid–liquid extraction processes

Christophe Dejugnat , Sandrine Dourdain , Véronique Dubois , Laurence Berthon , S Pellet-Rostaing
Physical Chemistry Chemical Physics, 2014, 16 (16), pp.7339. ⟨10.1039/C4CP00073K⟩
Journal articles hal-01999325v1

Predicting for thermodynamic instabilities in water/oil/surfactant microemulsions: A mesoscopic modelling approach

Magali Duvail , Lise Arleth , Thomas Zemb , Jean-François Dufrêche
Journal of Chemical Physics, 2014, 140 (16), pp.164711. ⟨10.1063/1.4873357⟩
Journal articles hal-02001423v1

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⟩
Journal articles 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⟩
Journal articles 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⟩
Journal articles 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⟩
Journal articles hal-02002016v1

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⟩
Journal articles 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⟩
Journal articles 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⟩
Journal articles hal-02001920v1
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Water electrolysis and energy harvesting with zero-dimensional ion-sensitive field-effect transistors

N. Clement , K. Nishiguchi , Jean-François Dufrêche , David Guérin , A. Fujiwara
Nano Letters, 2013, 13 (8), pp.3903-3908. ⟨10.1021/nl4019879⟩
Journal articles hal-00871930v1

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⟩
Journal articles hal-00863403v1

Synergism by Coassembly at the Origin of Ion Selectivity in Liquid–Liquid Extraction

Sandrine Dourdain , I. Hofmeister , O. Pecheur , Jean-François Dufrêche , R. Turgis
Langmuir, 2012, 28 (31), pp.11319-11328. ⟨10.1021/la301733r⟩
Journal articles hal-01999341v1

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⟩
Journal articles hal-00747016v1

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⟩
Journal articles hal-02002038v1

Nonequilibrium Vibrational Excitation of OH Radicals Generated During Multibubble Cavitation in Water

Abdoul Aziz Ndiaye , Rachel Pflieger , Bertrand Siboulet , John Molina , Jean-François Dufrêche
Journal of Physical Chemistry A, 2012, 116 (20), pp.4860-4867. ⟨10.1021/jp301989b⟩
Journal articles hal-02002133v1
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Ions in solutions: Determining their polarizabilities from first-principles

J.J. Molina , S. Lectez , S. Tazi , M. Salanne , Jean-François Dufrêche
Journal of Chemical Physics, 2011, 134, pp.014511. ⟨10.1063/1.3518101⟩
Journal articles 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⟩
Journal articles hal-02002588v1

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⟩
Journal articles hal-00644778v1
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A silicon nanowire ion-sensitive field-effect-transistor with elementary charge sensitivity

N. Clement , K. Nishiguchi , Jean-François Dufrêche , David Guérin , A. Fujiwara
Applied Physics Letters, 2011, 98, pp.014104-3. ⟨10.1063/1.3535958⟩
Journal articles hal-00572646v1

Primitive models of ions in solution from molecular descriptions: A perturbation approach

John Molina , Jean-François Dufrêche , Mathieu Salanne , Olivier Bernard , Pierre Turq
Journal of Chemical Physics, 2011, 135 (23), pp.234509. ⟨10.1063/1.3668098⟩
Journal articles hal-02002570v1

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⟩
Journal articles hal-02002579v1

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⟩
Journal articles hal-02002610v1
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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⟩
Journal articles hal-02002618v1
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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 Bernard
Journal of Physical Chemistry C, 2009, 113 (42), pp.18097-18105. ⟨10.1021/jp9069459⟩
Journal articles hal-00428983v1
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Models of electrolyte solutions from molecular descriptions: The example of NaCl solutions

John Jairo Molina , Jean-François Dufrêche , Mathieu Salanne , Olivier Bernard , Marie Jardat
Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2009, 80 (6), pp.065103. ⟨10.1103/PhysRevE.80.065103⟩
Journal articles hal-02002625v1
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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⟩
Journal articles hal-01917646v1
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Modeling water and ion diffusion in clays : A multiscale approach

Benjamin Rotenberg , Virginie Marry , Jean-François Dufrêche , Natalie Malikova , Eric Giffaut
Comptes Rendus. Chimie, 2007, 10, pp.1108. ⟨10.1016/j.crci.2007.02.009⟩
Journal articles hal-00369632v1
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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⟩
Journal articles hal-01917520v1

New coarse-graining procedure for the dynamics of charged spherical nanoparticles in solution

Vincent Dahirel , Marie Jardat , Jean-François Dufrêche , Pierre Turq
Journal of Chemical Physics, 2007, 126, pp.114108. ⟨10.1063/1.2710254⟩
Journal articles 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
Journal of Chemical Physics, 2007, 127, pp.095101. ⟨10.1063/1.2767626⟩
Journal articles hal-00164769v1
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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 Hansen
Journal of Chemical Physics, 2006, 124 (15), pp.154701. ⟨10.1063/1.2194014⟩
Journal articles 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
Journal articles hal-00173640v1
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Frequency-dependent dielectric permittivity of salt-free charged lamellar systems

Benjamin Rotenberg , Jean-François Dufrêche , Pierre Turq
Journal of Chemical Physics, 2005, 123, pp.154902
Journal articles hal-00016443v1

Bias voltage dependent electrochemical impedance spectroscopy of p- and n-type silicon substrates

Marius Chemla , Jean-François Dufrêche , Isabelle Darolles , François Rouelle , Didier Devilliers
Electrochimica Acta, 2005, 51, pp.665
Journal articles 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 Dufrêche
Journal of Physical Chemistry B, 2005, 109, pp.5243-5248
Journal articles hal-00164780v1

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. Badot
The Journal of physical chemistry, 2005, B 109, pp.15548-15557
Journal articles 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 Dufrêche
Journal of Physical Chemistry B, 2005, 109, pp.5243-5248
Journal articles 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
Journal articles hal-00164731v1
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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 Badot
Journal of Physical Chemistry B, 2005, 109, pp.15548-15557. ⟨10.1021/jp051586k⟩
Journal articles hal-00166966v1

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
Journal articles hal-00168683v1

Transport in electrolyte solutions: are ions Brownian particles?

Jean-François Dufrêche , Olivier Bernard , Pierre Turq
Journal of Molecular Liquids, 2005, pp.189-194
Journal articles hal-00164733v1

Temperature effect in a montmorillonite clay at low hydration-microscopic simulation

Natalie Malikova , Virginie Marry , Jean-François Dufrêche , Christian M. Simon , Pierre Turq
Molecular Physics, 2004, 102 (18), pp.1965-1977
Journal articles hal-00168699v1

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
Journal articles hal-00168701v1

Dynamics and transport in charged porous media

V. Marry , Jean-François Dufrêche , Marie Jardat , G. Meriguet , P. Turq
Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2003, 222, pp.147. ⟨10.1016/S0927-7757(03)00251-6⟩
Journal articles hal-00143692v1

Response to "Comment on 'Transport equations for concentrated electrolyte solutions: Reference frame, mutual diffusion' ".

Jean-François Dufrêche , Olivier Bernard , Marie Jardat , Pierre Turq
Journal of Chemical Physics, 2003, 118, pp.8116-8117
Journal articles hal-00164746v1

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⟩
Journal articles hal-00143676v1

Transport equations for concentrated electrolyte solutions: Reference frame, mutual diffusion.

Jean-François Dufrêche , Olivier Bernard , Pierre Turq
Journal of Chemical Physics, 2002, 116, pp.2085-2097
Journal articles hal-00164808v1

Mutual diffusion coefficients in concentrated electrolyte solutions.

Jean-François Dufrêche , Olivier Bernard , Pierre Turq
Journal of Molecular Liquids, 2002, 96-97, pp.123-133
Journal articles hal-00164812v1

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
Journal of Chemical Physics, 2002, pp.3804-3810
Journal articles hal-00164757v1

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
Journal articles hal-00164811v1

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
Journal articles 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
Journal articles hal-00162409v1

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
Conference papers hal-02276181v1
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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
Conference papers cea-02338593v1
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Activity Coefficients from Vapor-Liquid Interfaces: A Molecular Dynamics Approach for Separation Chemistry

M. Bley , M. Duvail , Philippe Guilbaud , Jean-François Dufrêche
Journees Scientifiques de Marcoule (JSM - 2018), Jun 2018, Bagnols Sur Ceze, France
Conference papers cea-02338585v1

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 (IAP 2018), Jun 2018, La Grande Motte, France
Conference papers hal-01999458v1

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. Chen
International Conference on Science, Technology and Applications of Rare Earths (ICSTAR-2018), Sep 2018, Tirupati, India
Conference papers hal-02004068v1

Thermodynamic approach of uranium(VI) extraction by N,N-(2-ethylhexyl)isobutyramide

M. Coquil , Nathalie Boubals , M. Duvail , Jean-François Dufrêche , Mc. Charbonnel
Summer School CCP5, Jul 2018, Lancaster, United Kingdom
Conference papers cea-02338617v1

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 Rey
6th International Colloids Conference, Jun 2016, Berlin, Germany
Conference papers cea-01555759v1
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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. Miguirditchian
RANC 2016 - The 1st International Conference on Radioanalytical and Nuclear Chemistry, Apr 2016, Budapest, Hungary
Conference papers cea-02442334v1

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
Conference papers hal-02416310v1
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Extraction des produits de fission et actinides mineurs par les monoamides: approche expérimentale et modélisation

P. Moeyaert , C. Sorel , M. Miguirditchian , T. Dumas , D. Guillaumont
Journées Scientifiques de Marcoule 2016, Jun 2016, Bagnols sur cèze, France
Conference papers hal-02441906v1

Study of aggregation phenomena in the organic phase for separation chemistry

M. Bley , M. Duvail , P. Guilbaud , Jean-François Dufrêche
16emes Journees Scientifiques de Marcoule (JSM - 2016), Jun 2016, Bagnols-Sur-Ceze, France
Conference papers hal-02441923v1
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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. Bosse
Journées Scientifiques de Marcoule (JSM 2015), Jun 2015, Marcoule, France
Conference papers cea-02492559v1
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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. Kokoric
IFP Energie Nouvelles 2015, Nov 2015, Rueil-Malmaison, France
Conference papers cea-01555693v1
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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 Dubois
PACIFICHEM, Nov 2015, Honolulu, Hawai, United States
Conference papers cea-01555685v1
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Specificity of ionic adsorption in silicas studied with molecular dynamics and potential of mean force

S. Hocine , Bertrand Siboulet , M. Duvail , Benoit Coasne , P. Turq
LowPerm 2015 - Low permeability media and nanoporous materials from characterisation to modelling, Jun 2015, Rueil Malmaison, France
Conference papers cea-02491621v1

[Invited] Water electrolysis and energy harvesting with 0D ion-sensitive field-effect transistors

Nicolas Clément , K. Nishiguchi , Jean-François Dufrêche , David Guérin , A. Fujiwara
1st International Symposium on Energy Challenges and Mechanics, ECM1, 2014, Aberdeen, Scotland, United Kingdom
Conference papers hal-01055001v1

Transducing energy loss in water electrolysis with a 0D ion-sensitive field-effect transistor

N. Clement , K. Nishiguchi , Jean-François Dufrêche , David Guérin , G. Patriarche
American Physical Society March Meeting, APS March Meeting 2013, 2013, Baltimore, MD, United States
Conference papers 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. Fujiwara
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
Conference papers hal-00797684v1

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
Conference papers hal-00169799v1

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
Conference papers hal-00173451v1

Ions at clay particle surfaces and ionic exchange: a molecular dynamics study

Benjamin Rotenberg , Jean-François Dufrêche , Virginie Marry , Eric Giffaut , Biman Bagchi
Mobile Fission and Activation Products in Nuclear Waste Disposal, international OECD/NEA workshop, Jan 2007, La Baule, France
Conference papers hal-00173427v1

Coarse-Graning for Montmorillonite Clay

Jean-François Dufrêche , Virginie Marry , Benjamin Rotenberg , Pierre Turq , Jean-Pierre Hansen
IUTAM Symposium on Swelling and Shrinking of Porous Materials: From Colloid Science to Poro-Mechanics, Aug 2007, Petropolis, Brazil. pp.0
Conference papers hal-00173447v1

Dynamics in clays

P. Turq , V. Marry , E. Dubois , Jean-François Dufrêche , S. Durand-Vidal
IUTAM Symposium Swelling and shrinking of porous materials, Aug 2007, Petropolis, Brazil
Conference papers hal-00169797v1

Interlayer/micropore Exchange of water and ions in clays: A molecular dynamics study

Benjamin Rotenberg , Virginie Marry , Rodolphe Vuilleumier , Natalie Malikova , Jean-François Dufrêche
journées du GDR Paris, Mar 2007, Avignon, France
Conference papers hal-00173467v1

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
Conference papers hal-00167531v1

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
Conference papers hal-00173311v1

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
Conference papers hal-00173472v1

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
Conference papers hal-00173303v1

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
Conference papers hal-00173346v1

Multiscale Dynamics in Ionic Media

P. Turq , Olivier Bernard , Agathe Cadène , Jean-François Dufrêche , S. Durand-Vidal
29th International Conference on Solution Chemistry, Aug 2005, Portoroz, Slovenia
Conference papers hal-00173049v1

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 Roger
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
Conference papers hal-00173066v1

Dynamics in clays

Natalie Malikova , Virginie Marry , Jean-François Dufrêche , Pierre Turq
Conference on Computational Physics 2004, Sep 2004, Gennes, Italy
Conference papers hal-00173476v1

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
Conference papers 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
Conference papers hal-00173455v1

Molecular hydrodynamics: from Kubo to Smoluchowski, Example of a Montmorillonite Clay

Jean-François Dufrêche , Natalie Malikova , Virginie Marry , Frédéric Grün , Marie Jardat
Slow Dynamics in Complex Systems: 3rd International Symposium, Nov 2003, Sendai, Japan. pp.468
Conference papers 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
Conference papers hal-00173452v1

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
Conference papers 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
Conference papers hal-00173458v1

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
Conference papers hal-00173463v1

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
Conference papers hal-00173480v1

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
Conference papers 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
Conference papers hal-00173479v1

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
Conference papers hal-00173363v1

Models for electrokinetic phenomena in montmorillonite

Pierre Turq , Virginie Marry , Jean-François Dufrêche , Olivier Bernard
Congrès ELKIN 2000, Oct 2000, Dresde, Germany
Conference papers hal-00173482v1
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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 : ⟩
Theses tel-00869532v1