
Magali Duvail
129
Documents
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Site web
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Publications
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Publications
Prédiction moléculaire des enthalpies libres de transfert des ions pour l’extraction liquide-liquideJournée des Doctorants de l'ICSM, ICSM, Apr 2024, Bagnols sur Cèze, France
Communication dans un congrès
hal-04693017
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Simulation de l’équilibre et du transport des ions aux interfaces liquide-liquideJournées Scientifiques de l'ISEC, Jun 2024, Bagnols Sur Cèze, France
Communication dans un congrès
hal-04693036
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How to predict the thermodynamics of rare-earth reverse micelle involved in separation chemistry38th Conference of the European Colloid and Interface Society, Sep 2024, Copenaghen, Denmark
Communication dans un congrès
hal-04692672
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Modeling of liquid-liquid extraction of salts between an aqueous phase and a microemulsion36th Molecular Modelling Workshop 2024, Mar 2024, Erlangen, Germany
Communication dans un congrès
hal-04695206
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Molecular prediction of water transfer in water-octanol interfaces for liquid-liquid extraction36th Molecular Modelling Workshop 2024, Mar 2024, Erlangen, Germany
Communication dans un congrès
hal-04692850
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Prédiction moléculaire des enthalpies libres de transfert pour l’extraction liquide-liquideJournées Scientifiques de l'ISEC, Jun 2024, Bagnols sur Cèze, France
Communication dans un congrès
hal-04693032
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Simulation de l’équilibre et du transport des ions aux interfaces liquide-liquideJournée des Doctorants ICSM, Apr 2024, Bagnols sur Cèze, France
Communication dans un congrès
hal-04693021
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Understanding interface formation and extractant distribution at the liquid-liquid interface36th Molecular Modelling Workshop 2024, Mar 2024, Erlangen, Germany
Communication dans un congrès
hal-04692846
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Water-octanol and air-octanol interfacesJournées Théorie, Modélisation et Simulations - JTMS 2023, ThéMoSiA, Oct 2023, Strasbourg, France
Communication dans un congrès
hal-04692791
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Simulation of the equilibrium and the transport of ions at the liquid-liquid interfaceJournées "Théorie, Modélisation et Simulations", Oct 2023, Strasbourg, France
Communication dans un congrès
hal-04692785
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Water-octanol and air-octanol interfacesNuclear Fuel Cycle: A Chemistry Conference (NFC3) – 2023, Nov 2023, Conférence en ligne, France
Communication dans un congrès
hal-04692811
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Simulation at the service of liquid solid interfaces: insight from molecular dynamicsWorkshop on Solid-Liquid Interfaces, ICSM, Sep 2022, Bagnolssur-Cèze, France
Communication dans un congrès
hal-04810705
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Nanometric structure of liquid-liquid interfaces containing an extractant: Experiments and molecular dynamics modellingAdvances in surfaces interfaces and interphases 2022, Elsevier, May 2022, Online, China
Communication dans un congrès
hal-04716818
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Molecular dynamics and paramagnetic Nuclear Magnetic Resonance coupling for the coordination mode determination of An VI complexes in solution44th international conference on coordination chemistry, Aug 2022, Rimini, Italy
Communication dans un congrès
cea-04743515
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Nanometric organization of a liquid-liquid interface containing a malonamide extractant: experiments and molecular dynamics simulationsInternational solvent extraction conference (ISEC 2022), Sep 2022, Gothenburg, Sweden
Communication dans un congrès
hal-04716840
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Aggregation of malonamides (DMDOHEMA) extractants in Ionic Liquids by Molecular Dynamics17th Conference of the International Association of Colloid and Interface Scientists (IACIS 2022), Jun 2022, Brisbane (AU), Australia
Communication dans un congrès
hal-04695979
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Development of multi-scale approaches to unravel the phenomena associated with rare earth transfer in separation chemistryWorkshop "The Mathematics of Soft Matter, Structure and Dynamics", Aurora Clark, Feb 2022, Chicago (IL), United States
Communication dans un congrès
hal-04693305
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Unraveling the Thermodynamics Properties of Rare-earth Reverse Micelle Involved in Separation Chemistry: A Multi-scale Approach17th Conference of International Association of Colloid and Interface Scientists (IACIS 2022), Jun 2022, Brisbane (AU), Australia
Communication dans un congrès
hal-04693294
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Extended X-ray Absortion Fine Structure and Theoretical Models to describe actinides and fission products in the nuclear fuel cycle.ESRF User Meeting, Feb 2021, grenoble, France
Communication dans un congrès
cea-04735941
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Separation chemistry: Towards a predictive model of the liquid-liquid extraction using multiscale approachesWébinaire 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-04693335
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Study of the liquid-liquid interface containing an extractant: Experiments and molecular dynamics modellingNFC3 Nuclear Fuel Cycle: A Chemistry Conference, May 2021, Evenium Net, France
Communication dans un congrès
cea-04804678
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Origin of the second harmonic generation signal at the water-air interfaceEuropean Colloid and Interface Society ECIS 2021, Sep 2021, Athènes, Greece
Communication dans un congrès
hal-04695950
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Study of the liquid-liquid interface containing an extractant: Experiments and molecular dynamics modellingRencontre de Chimie Physique 2019, Oct 2019, Biarritz, France
Communication dans un congrès
hal-04717094
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Estimation de l’enthalpie d’excès à partir de l’enthalpie de dilution pour les systèmes (alcanes+N,N-dialkylamides) : approche expérimentale et théoriqueSFGP2019, Oct 2019, Nantes, France
Communication dans un congrès
cea-04740919
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Role of alkali cation in early stage of oligomerization in silicate fluids: a molecular dynamics studyBalard Conference, Jun 2018, Montpellier, France
Communication dans un congrès
hal-01999458
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Phenomena associated to the transfer of rare earths involved in separation chemistry: from the molecular modelling to chemical engineeringInternational Conference on Science, Technology and Applications of Rare Earths (ICSTAR-2018), Sep 2018, Tirupati, India
Communication dans un congrès
hal-02004068
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Molecular Simulation of Phase Diagrams from the Osmotic Equilibrium Method: Vapor Pressure and Activities in Complex SolutionsTenth Liblice Conference on the Statistical Mechanics of Liquids, Jun 2018, Srni, Czech Republic
Communication dans un congrès
hal-04695997
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Activity Coecients from Liquid-Vapor Interfaces: A Molecular Dynamic Approach for Separation ChemistryInterfaces Against Pollution IAP 2018, Jun 2018, La Grande Motte, France
Communication dans un congrès
hal-04696001
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Thermodynamic approach of uranium(VI) extraction by N,N-(2-ethylhexyl)isobutyramideSummer School CCP5, Jul 2018, Lancaster, United Kingdom
Communication dans un congrès
cea-02338617
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Role of alkali cation in early stage of oligomerization in silicate fluids: a molecular dynamics studyInterfaces Against Pollution 2018, Jun 2018, La Grande Motte, France
Communication dans un congrès
hal-02276181
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What governs the stability of reverse micelles in rare-earth separation: a chemical model based on a multiscale approach7th EuCheMS Chemistry Congress, Aug 2018, Liverpool, United Kingdom
Communication dans un congrès
hal-04693367
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Phenomena associated to the transfer of rare earth involved in separation chemistry: from the molecular modelling to the chemical engineeringBalard Conference 2018, Jun 2018, Montpellier, France
Communication dans un congrès
hal-04693379
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Activity Coefficients from Vapor-Liquid Interfaces: A Molecular Dynamics Approach for Separation ChemistryJournees Scientifiques de Marcoule (JSM - 2018), Jun 2018, Bagnols Sur Ceze, France
Communication dans un congrès
cea-02338585
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Theory at the ICSM and a simple description of charged liquid solid interfaces: an insight from molecular dynamicsAnnual retreat of the biomaterials department of the Max Planck Institute of Colloids and Interfaces, May 2017, Tabarz, Germany
Communication dans un congrès
hal-04814220
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Simulating Osmotic Equilibria: A New Tool to Calculate Osmotic and Activity Coefficients in Concentrated SolutionsThermodynamics 2017, Sep 2017, Edinburgh, United Kingdom
Communication dans un congrès
hal-04696016
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From Molecular Dynamics Simulation of Liquid-Vapor Interfaces to Activity CoefficientsBalard Post(PhD)2 Days, Dec 2017, Montpellier, France
Communication dans un congrès
hal-04696007
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Condensation at a charged surface a molecular dynamics investigation of the Stern layer for water-silica interfacesBallard Conference 2016, Apr 2016, Montpellier, France
Communication dans un congrès
cea-02431797
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Study of aggregation phenomena in the organic phase for separation chemistry16emes Journees Scientifiques de Marcoule (JSM - 2016), Jun 2016, Bagnols-Sur-Ceze, France
Communication dans un congrès
hal-02441923
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Condensation d'ion sur une surface chargee analyse par dynamique moleculaire de la couche de Stern pour une interface eau-silice5emes Journées de l’Association Française de l’Adsorption Paris, Feb 2016, Paris, France
Communication dans un congrès
cea-02431817
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Phenomena associated to the transfer of rare earth involved in separation chemistry: from the molecular modelling to the chemical engineeringCEFIPRA Workshop on Challenges in the Processing and Recycling of Rare-earth, Jul 2016, Pune, India
Communication dans un congrès
hal-04693420
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Multiscale modelling of ions in solutions: a challenge for the separation chemistry34th International Conference on Solution Chemistry, Aug 2015, Prague, Czech Republic
Communication dans un congrès
hal-04693594
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Multiscale Modeling of Ions in SolutionTelluride 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-04693844
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Thermodynamics properties of microemulsions involved in ion separation methods: a mesoscopic modelling approachThermodynamics Conference, Sep 2013, Manchester, United Kingdom
Communication dans un congrès
hal-04693846
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Modélisation mésoscopique des microémulsionsAtelier CFCAM "Modélisation multi-échelle", Feb 2013, Paris, France
Communication dans un congrès
hal-04693858
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Multiscale Modeling of Ionic Transport in Charged ClaysGoldschmidt Conference 2011, Aug 2011, Prague, Czech Republic
Communication dans un congrès
hal-04693874
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Multiscale Modeling of Ionic Transport in Charged Clays32nd International Conference on Solution Chemistry, Aug 2011, La Grande Motte, France
Communication dans un congrès
hal-04693866
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Lanthanide Salts Concentrated Aqueous Solutions: Structural CharacterizationVery Heavy Metals 2009, May 2009, Canet en Roussillon, France
Communication dans un congrès
hal-04693882
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Stiff and flexible water-poor microemulsions: disconnected and bicontinuous microstructures, their phase diagrams and scattering propertiesColloid and Interface Chemistry for Nanotechnology, pp.503-528, 2013, 9781466569058
Chapitre d'ouvrage
hal-02003980
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Etude des trications lanthanide en solution aqueuse par dynamique moléculaireAutre. Université Paris Sud - Paris XI, 2007. Français. ⟨NNT : ⟩
Thèse
tel-00230914
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Modélisation Multi-Echelle pour les Phénomènes de Transfert en Chimie Séparative : de l'Atome aux ProcédésChimie théorique et/ou physique. Université de Montpellier, 2017
HDR
tel-03326911
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