Magali Duvail
Présentation
Publications
Publications
Simulation de l’équilibre et du transport des ions aux interfaces liquide-liquideJournées Scientifiques de l'ISEC, Jun 2024, Bagnols Sur Cèze, France |
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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 |
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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 |
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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 |
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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 |
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Understanding interface formation and extractant distribution at the liquid-liquid interface36th Molecular Modelling Workshop 2024, Mar 2024, Erlangen, Germany |
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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 |
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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 |
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Water-octanol and air-octanol interfacesJournées Théorie, Modélisation et Simulations - JTMS 2023, ThéMoSiA, Oct 2023, Strasbourg, France |
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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 |
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Water-octanol and air-octanol interfacesNuclear Fuel Cycle: A Chemistry Conference (NFC3) – 2023, Nov 2023, Conférence en ligne, France |
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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 |
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 |
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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 |
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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
Thermodynamic approach of uranium(VI) extraction by N,N-(2-ethylhexyl)isobutyramideSummer School CCP5, Jul 2018, Lancaster, United Kingdom |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
Simulating Osmotic Equilibria: A New Tool to Calculate Osmotic and Activity Coefficients in Concentrated SolutionsThermodynamics 2017, Sep 2017, Edinburgh, United Kingdom |
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From Molecular Dynamics Simulation of Liquid-Vapor Interfaces to Activity CoefficientsBalard Post(PhD)2 Days, Dec 2017, Montpellier, France |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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Thermodynamics properties of microemulsions involved in ion separation methods: a mesoscopic modelling approachThermodynamics Conference, Sep 2013, Manchester, United Kingdom |
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Modélisation mésoscopique des microémulsionsAtelier CFCAM "Modélisation multi-échelle", Feb 2013, Paris, France |
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Multiscale Modeling of Ionic Transport in Charged ClaysGoldschmidt Conference 2011, Aug 2011, Prague, Czech Republic |
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Multiscale Modeling of Ionic Transport in Charged Clays32nd International Conference on Solution Chemistry, Aug 2011, La Grande Motte, France |
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Lanthanide Salts Concentrated Aqueous Solutions: Structural CharacterizationVery Heavy Metals 2009, May 2009, Canet en Roussillon, France |
Simulation of the equilibrium and the transport of ions at the liquid-liquid interfaces38th Conference of the European Colloid & Interface Society, Sep 2024, Copenaghen, Denmark |
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Stability of colloidal organic dispersions predicted by multi-scale modellingJournées Scientifiques de l’ISEC 2024, Jun 2024, Bagnols sur Cèze, France |
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Lipophilic aminopolycarboxylate-based ligands for the recycling of rare earthsBOSS XVIII 18th Belgian Organic Synthesis Symposium, May 2024, Liège, Belgium |
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Simulating of synergistic phenomena in ionic solutions encountered in extraction uranium processJournée des doctorants de l'ICSM, Apr 2024, Bagnols Sur Cèze, France |
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Stability of colloidal organic dispersions predicted by multi-scale modellingJournée des doctorants de l'ICSM, Apr 2024, Bagnols sur Cèze, France |
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Molecular prediction of water transfer in water-octanol separation systems38th Conference of the European Colloid & Interface Society, Sep 2024, Copenhague, Denmark |
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Simulating of synergistic phenomena in ionic solutions encountered in extraction uranium processJournée scientifique de l'ISEC, Jun 2024, Bagnols sur Cèze, France |
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Molecular prediction of ion transfer for liquid-liquid extractionCCP5 Summer School 2023, Jul 2023, Durham, United Kingdom |
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Simulation of the equilibrium and the transport of ions at the liquid-liquid interfacesJournée Scientifiques ISEC, Sep 2023, Marcoule, France |
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Simulation of the equilibrium and the transport of ions at the liquid-liquid interfacesCCP5 Summer school 2023, Jul 2023, Durham, United Kingdom |
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Simulation of the equilibrium and the transport of ions at the liquid-liquid interfacesJournée des thésards ICSM, Apr 2023, Marcoule, France |
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Molecular prediction of ion transfer for liquid-liquid extractionJournée des thésards de l'ICSM, Apr 2023, Marcoule, France |
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Molecular prediction of ion transfer for liquid-liquid extractionJournées Scientifiques de l'ISEC, Sep 2023, Marcoule, France |
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Hydration mechanisms of uranium dioxide (UO2): new insights from ab initio molecular dynamics simulationsBalard Conference 2021, Jun 2021, Montpellier, France |
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Multiscale Modelling of Liquid/Liquid Extraction: Study of the Organic Phase and the Liquid/Liquid InterfaceCCP5 summer school, Jul 2019, Durham, United Kingdom |
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Investigation of the role of alkali cation in early stage of oligomerization in silicate fluids: a molecular dynamics study7th EuCheMS Chemistry Congress, Aug 2018, Liverpool, United Kingdom |
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Modelling phase transfer of electrolytes in emulsified microemulsionsEuropean Colloid and Interface Society (ECIS 2018), Sep 2018, Ljubljana, Slovenia |
Molecular modelling of silicate fluids applied to geopolymersCCP5 summer school, Jul 2017, Lancaster, United Kingdom |
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Simulating osmotic equilibria A new tool to calculate activity coefficients in solutionLes 17èmes Journées Scientifiques de Marcoule, Jun 2017, Bagnols Sur Ceze, France. CEA Marcoule, 2017 |
Molecular modelling of aqueous alumino-silicates fluids for ground stabilizationEuropean Conference of Physical Chemistry (ECPC) 2017, Sep 2017, Borgo, France |
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Adsorption along the alkali series on silica surfaces : reversal of adsorption selectivity with pH studied with molecular dynamicsJournées annuelles de l'Association Française de l'Adsorption, Feb 2016, Paris, France |
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Specificity of ionic adsorption in silicas studied with molecular dynamics and potential of mean forceLowPerm 2015 - Low permeability media and nanoporous materials from characterisation to modelling, Jun 2015, Rueil Malmaison, France. 2015 |
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Ionic specificity of adsorption on silica surfaces : an analysis with molecular dynamics and potential of mean forceJournées scientifiques de l'association française d'adsorption, Feb 2015, Paris, France |
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Microemulsions: a new model for organic phases involved in ion separation methodsEmulsification : Modélisation, Technologies et Applications, Nov 2012, Lyon, France |
Hydration of La3+ by Molecular Dynamics Simulations using Explicit PolarizationConference on Computational Physics 2007, Sep 2007, Brussels, Belgium |
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Molecular Dynamics study of La(H2O)216[3+]6ème journée scientifique de la DEN, Jun 2006, Chatenay-Malabry, France. 2006 |
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Hydration of Ion La3+, a Molecular Dynamics StudyCCP5 Summer School, Jul 2006, Cardiff, United Kingdom. 2006 |
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Hydrolysis of hard cations, a molecular dynamics study5ème Journée scientifique de la DEN, Jun 2005, Ecole Polytechnique, Palaiseau, France. 2005 |
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 |
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Etude des trications lanthanide en solution aqueuse par dynamique moléculaireAutre. Université Paris Sud - Paris XI, 2007. Français. ⟨NNT : ⟩ |
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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 |