Yann FOUCAUD

Journal articles

2025

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David Dell'Angelo, Ana Jurković, Tin Klačić, Yann Foucaud, Michael Badawi, et al.. Unravelling the cleavage-rate relationship from both the experimental and theoretical standpoint: The instance of fluorite dissolution. Journal of Colloid and Interface Science, 2025, 684, pp.844-855. ⟨10.1016/j.jcis.2024.12.242⟩. ⟨hal-04998854⟩

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Safa Gamoudi, Jihene Manai, Wilfried Kanhounnon, Didilia Ileana Mendoza-Castillo, Adrián Bonilla-Petriciolet, et al.. Assessment of Tunisian clays for their potential application as excipient in pharmaceutical preparations: 2-amino-5-chlorobenzophenone adsorption. Applied Clay Science, 2025, 269, pp.107760. ⟨10.1016/j.clay.2025.107760⟩. ⟨hal-04999337⟩

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Ndue Kanari, Frederic Diot, Chloe Korbel, Allen Yushark Fosu, Eric Allain, et al.. Thermodynamic Modeling and Experimental Validation for Thermal Beneficiation of Tungsten-Bearing Materials. Materials, 2025, 18 (4), pp.899. ⟨10.3390/ma18040899⟩. ⟨hal-04964949⟩

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Chloé Korbel, J.P. Pinheiro, Benedicte Prelot, Angelina Razafitianamaharavo, F. Villieras, et al.. Investigation of lepidolite surface properties: Insights from solid-gas and solid-liquid interfaces analyses. Surfaces and Interfaces, 2025, 58, pp.105803. ⟨10.1016/j.surfin.2025.105803⟩. ⟨hal-04915386v2⟩

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Geoffroy Rodrik, Y. Foucaud, Bertrand Siboulet, Magali Duvail, Stephanie Szenknect, et al.. Structure and chemistry of uranium dioxide (UO2) in water from first-principles molecular dynamics simulations. Colloids and Surfaces A: Physicochemical and Engineering Aspects, In press, 721, pp.136827. ⟨10.1016/j.colsurfa.2025.136827⟩. ⟨hal-05063003⟩

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2024

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Franciele da Silva Bruckmann, Yann Foucaud, Raphael Forgearini Pinheiro, Luis Felipe Oliveira Silva, Marcos Leandro Silva Oliveira, et al.. Removal of phenazopyridine from water, synthetic urine, and real sample by adsorption using graphene oxide: A DFT theoretical/experimental approach. Chemosphere, 2024, 363, pp.142738. ⟨10.1016/j.chemosphere.2024.142738⟩. ⟨hal-05207067⟩

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Edwin Clatworthy, Rémy Guillet-Nicolas, Philippe Boullay, Michael Badawi, Yann Foucaud, et al.. Ultra-thin BPH nanosheets with exceptional water adsorption properties. ACS Materials Letters, 2024, 6 (10), pp.4690-4696. ⟨10.1021/acsmaterialslett.4c01625⟩. ⟨hal-04808044⟩

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David Dell'Angelo, Y. Foucaud, Josué Mesquita, Juliette Lainé, Henrique Turrer, et al.. Enhanced Machine Learning Molecular Simulations for optimization of flotation selectivity: A perspective paper. Minerals Engineering, 2024, 218, pp.109016. ⟨10.1016/j.mineng.2024.109016⟩. ⟨hal-04884885⟩

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David Dell’angelo, Juliette Lainé, Halima Said, Yann Foucaud, Michael Badawi. Machine Learning Force Field beyond the Limits of Classical and First-Principles Molecular Dynamics Simulations: The Case of Kaolinite Hydration. Journal of Physical Chemistry C, 2024, 128 (27), pp.11447-11455. ⟨10.1021/acs.jpcc.4c03288⟩. ⟨hal-04884874⟩

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Amir Eskanlou, Barbara Arnold, Yann Foucaud, Michael Badawi, Nelson Dzade. Optimizing flotation separation of fluorapatite from Florida waste clay using a multiscale approach. Applied Surface Science, 2024, 662, pp.160067. ⟨10.1016/j.apsusc.2024.160067⟩. ⟨hal-04897244⟩

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J. Lainé, Y. Foucaud, J.W. Hounfodji, P. Pelée de Saint-Maurice, A. Bonilla-Petriciolet, et al.. Adsorption of amine surfactants onto kaolinite: a multiscale investigation. Minerals Engineering, 2024, 216, pp.108851. ⟨10.1016/j.mineng.2024.108851⟩. ⟨hal-04883800⟩

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J. Mesquita, M. Badawi, R. Belissont, H. Turrer, Y. Foucaud. Assessment of flotation process efficiency in producing DR concentrate from a low-grade iron ore. Minerals Engineering, 2024, 216, pp.108838. ⟨10.1016/j.mineng.2024.108838⟩. ⟨hal-04883783⟩

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J. Mesquita, Y. Foucaud, H. Turrer, M. Badawi. Evaluation of the Crago flotation process to recover the iron contained in the fine tailings of Mont-Wright mine. Minerals Engineering, 2024, 209, pp.108635. ⟨10.1016/j.mineng.2024.108635⟩. ⟨hal-04883771⟩

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2023

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Y. Foucaud, Azza Ben Jannet, Stefano Caramori, Rafael Canevesi, Moncef Said, et al.. Hydration mechanisms of tungsten trioxide revealed by water adsorption isotherms and first-principles molecular dynamics simulations. Journal of Physical Chemistry C, 2023, 127 (11), pp.5584-5596. ⟨10.1021/acs.jpcc.2c08931⟩. ⟨hal-04278825⟩

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Matthieu Harlaux, Christian Marignac, Patrick A Carr, Julien Mercadier, Christophe Ballouard, et al.. Polyphase W-Sn mineralization and rare metal magmatism in relation to the late-Variscan tectono-metamorphic evolution of the southeastern French Massif Central. Mineralium Deposita, 2023, ⟨10.1007/s00126-023-01197-5⟩. ⟨hal-04288010⟩

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Atiđa Selmani, Bertrand Siboulet, Mario Špadina, Yann Foucaud, Goran Dražić, et al.. Cation Adsorption in TiO2 Nanotubes: Implication for Water Decontamination. ACS Applied Nano Materials, 2023, 6 (14), pp.12711-12725. ⟨10.1021/acsanm.3c00916⟩. ⟨hal-04483775⟩

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2022

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Amir Eskanlou, Qingqing Huang, Yann Foucaud, Michael Badawi, Aldo H. Romero. Effect of Al3+ and Mg2+ on the Flotation of Fluorapatite Using Fatty- and Hydroxamic-Acid Collectors - A Multiscale Investigation. Applied Surface Science, 2022, 572, pp.151499. ⟨10.1016/j.apsusc.2021.151499⟩. ⟨hal-03603336⟩

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Y. Foucaud, Jean-François Dufrêche, Bertrand Siboulet, Magali Duvail, Alban Jonchere, et al.. Why Local and Non-local Terms are Essential for Second Harmonic Generation Simulation?. Physical Chemistry Chemical Physics, 2022, 24, pp.12961-12973. ⟨10.1039/D1CP05437F⟩. ⟨hal-03653959⟩

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Shuang Tan, Chunxu Wang, Yann Foucaud, Michael Badawi, Hailing Guo, et al.. Ordered sodium zeolite-templated carbon with high first discharge capacity for sodium battery application. Microporous and Mesoporous Materials, 2022, 336, pp.111853. ⟨10.1016/j.micromeso.2022.111853⟩. ⟨hal-04295959⟩

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2021

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Y. Foucaud, R.L.S. Canevesi, A. Celzard, Vanessa Fierro, M. Badawi. Hydration mechanisms of scheelite from adsorption isotherms and ab initio molecular dynamics simulations. Applied Surface Science, 2021, 562, pp.150137. ⟨10.1016/j.apsusc.2021.150137⟩. ⟨hal-03381716⟩

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Yann Foucaud, Juliette Lainé, Lev Filippov, Odile Barrès, Won June Kim, et al.. Adsorption mechanisms of fatty acids on fluorite unraveled by infrared spectroscopy and first-principles calculations. Journal of Colloid and Interface Science, 2021, 583, pp.692-703. ⟨10.1016/j.jcis.2020.09.062⟩. ⟨hal-03423329⟩

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Y. Foucaud, Bertrand Siboulet, Magali Duvail, Alban Jonchere, Olivier Diat, et al.. Deciphering Second Harmonic Generation Signals. Chemical Science, 2021, 12 (45), pp.15134-15142. ⟨10.1039/D1SC03960A⟩. ⟨hal-03411692⟩

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Jean Wilfried Hounfodji, Wilfried G. Kanhounnon, Gaston Kpotin, Guy S. Atohoun, Juliette Lainé, et al.. Molecular insights on the adsorption of some pharmaceutical residues from wastewater on kaolinite surfaces. Chemical Engineering Journal, 2021, 407, pp.127176 -. ⟨10.1016/j.cej.2020.127176⟩. ⟨hal-03492680⟩

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2020

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Yann Foucaud, Lev Filippov, Inna Filippova, Michael Badawi. The Challenge of Tungsten Skarn Processing by Froth Flotation: A Review. Frontiers in Chemistry, 2020, 8, pp.230. ⟨10.3389/fchem.2020.00230⟩. ⟨hal-03603339⟩

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A. Geneyton, Y. Foucaud, L.O. Filippov, N.-E. Menad, A. Renard, et al.. Synergistic adsorption of lanthanum ions and fatty acids for efficient rare-earth phosphate recovery: Surface analysis and ab initio molecular dynamics studies. Applied Surface Science, 2020, 526, pp.146725. ⟨10.1016/j.apsusc.2020.146725⟩. ⟨hal-03490773⟩

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2019

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Q. Dehaine, Y. Foucaud, J-S. Kroll-Rabotin, L.O. Filippov. Experimental investigation into the kinetics of Falcon UF concentration: Implications for fluid dynamic-based modelling. Separation and Purification Technology, 2019, 215, pp.590-601. ⟨10.1016/j.seppur.2019.01.048⟩. ⟨hal-02086208⟩

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Y. Foucaud, I.V. Filippova, L.O. Filippov. Investigation of the depressants involved in the selective flotation of scheelite from apatite, fluorite, and calcium silicates: Focus on the sodium silicate/sodium carbonate system. Powder Technology, 2019, 352, pp.501 - 512. ⟨10.1016/j.powtec.2019.04.071⟩. ⟨hal-03486969⟩

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Y. Foucaud, C. Fabre, B. Demeusy, I.V. Filippova, L.O. Filippov. Optimisation of fast quantification of fluorine content using handheld laser induced breakdown spectroscopy. Spectrochimica Acta Part B: Atomic Spectroscopy, 2019, 158, pp.105628 -. ⟨10.1016/j.sab.2019.05.017⟩. ⟨hal-03484488⟩

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Yann Foucaud, Michael Badawi, Lev Filippov, Odile Barres, Inna Filippova, et al.. Synergistic adsorptions of Na 2 CO 3 and Na 2 SiO 3 on calcium minerals revealed by spectroscopic and ab initio molecular dynamics studies. Chemical Science, 2019, 10 (43), pp.9928-9940. ⟨10.1039/C9SC03366A⟩. ⟨hal-02505652⟩

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Y. Foucaud, I. Filippova, Q. Dehaine, P. Hubert, L. Filippov. Integrated approach for the processing of a complex tungsten Skarn ore (Tabuaço, Portugal). Minerals Engineering, 2019, 143, pp.105896. ⟨10.1016/j.mineng.2019.105896⟩. ⟨hal-03487286⟩

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Yann Foucaud, Michael Badawi, Lev Filippov. Comment on: Effects of Crystal Chemistry on Sodium Oleate Adsorption on Fluorite Surface Investigated by Molecular Dynamics Simulation: Renji Zheng, Zijie Ren, Huimin Gao, Zhijie Chen, Yupeng Qian, Yubiao Li, Minerals Engineering, Vol. 124, Pp. 77\textendash 85, 2018. Minerals Engineering, 2019, 135, pp.156-159. ⟨10.1016/j.mineng.2019.02.020⟩. ⟨hal-03603340⟩

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Y. Foucaud, Michael Badawi, L.O. Filippov, I. Filippova, S. Lebègue. A review of atomistic simulation methods for surface physical-chemistry phenomena applied to froth flotation. Minerals Engineering, 2019, 143, pp.106020. ⟨10.1016/j.mineng.2019.106020⟩. ⟨hal-03487669⟩

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2018

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L.O. Filippov, Y. Foucaud, I.V. Filippova, M. Badawi. New Reagent Formulations for Selective Flotation of Scheelite from a Skarn Ore with Complex Calcium Minerals Gangue. Minerals Engineering, 2018, 123, pp.85--94. ⟨10.1016/j.mineng.2018.05.001⟩. ⟨hal-03603337⟩

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Yann Foucaud, Michael Badawi, Lev O. Filippov, Inna V. Filippova, Sébastien Lebègue. Surface Properties of Fluorite in Presence of Water: An Atomistic Investigation. Journal of Physical Chemistry B, 2018, 122 (26), pp.6829--6836. ⟨10.1021/acs.jpcb.8b02717⟩. ⟨hal-03603342⟩

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Yann Foucaud, Sébastien Lebègue, Lev O. Filippov, Inna V. Filippova, Michael Badawi. Molecular Insight into Fatty Acid Adsorption on Bare and Hydrated (111) Fluorite Surface. Journal of Physical Chemistry B, 2018, 122 (51), pp.12403--12410. ⟨10.1021/acs.jpcb.8b08969⟩. ⟨hal-03603341⟩

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Conference papers

2021

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Y. Foucaud, Rodolphe Vuilleumier, Bertrand Siboulet, Magali Duvail, Olivier Diat, et al.. Origin of the second harmonic generation signal at the water-air interface. European Colloid and Interface Society ECIS 2021, Sep 2021, Athènes, Greece. ⟨hal-04695950⟩

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Poster communications

2024

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Geoffroy Rodrik, Yann Foucaud, Bertrand Siboulet, Jean-François Dufrêche. Structure and chemistry of uranium dioxide (UO2) in water from first-principles molecular dynamics simulations (poster). Journées scientifiques de l’ISEC, Jun 2024, Bagnols sur Cèze, France. ⟨hal-04954619⟩

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Geoffroy Rodrik, Yann Foucaud, Bertrand Siboulet, Jean-François Dufrêche. Structure and chemistry of uranium dioxide (UO2) in water from first-principles molecular dynamics simulations (poster). Journée des doctorants de l’ICSM, Apr 2024, Bagnols sur Cèze, France. ⟨hal-04954602⟩

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2021

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Y. Foucaud, Solène Bertolotto, Stephanie Szenknect, Magali Duvail, Bertrand Siboulet, et al.. Hydration mechanisms of uranium dioxide (UO2): new insights from ab initio molecular dynamics simulations. Balard Conference 2021, Jun 2021, Montpellier, France. ⟨hal-04696078⟩

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Theses

2019

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Y. Foucaud. Tungsten recovery from a skarn with a low separation contrast : Contribution of molecular modelling in the flotation of calcium minerals. Earth Sciences. Université de Lorraine, 2019. English. ⟨NNT : 2019LORR0149⟩. ⟨tel-02510942⟩

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