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Prediction of Surfactants' Properties using Multiscale Molecular Modeling Tools: A Review

Benoît Creton , Carlos Nieto-Draghi , Nicolas Pannacci
Oil & Gas Science and Technology - Revue d'IFP Energies nouvelles, 2012, 67 (6), pp.969-982. ⟨10.2516/ogst/2012040⟩
Journal articles hal-00815707v1
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Experimental and Mesoscopic Modeling Study of Water/Crude Oil Interfacial Tension

David Steinmetz , Kevin R. Arriola González , Rafael Lugo , Jan Verstraete , Véronique Lachet , et al.
Energy & Fuels, 2021, 35 (15), pp.11858-11868
Journal articles hal-03351864v1
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A Joint DFT-kMC Study to Model Ethylene Carbonate Decomposition Reactions : SEI Formation, Growth, and Capacity Loss During Calendar aging of Li-Metal Batteries

Mohammed Bin Jassar , Carine Michel , Sara Abada , Theodorus de Bruin , Sylvain Tant , et al.
ACS Applied Energy Materials, 2023, 6 (13), pp.6934-6945. ⟨10.1021/acsaem.3c00372⟩
Journal articles hal-04172957v1

Diffusion under Confinement: Hydrodynamic Finite-Size Effects in Simulation

Pauline Simonnin , Benoît Noetinger , Carlos Nieto-Draghi , Virginie Marry , Benjamin Rotenberg
Journal of Chemical Theory and Computation, 2017, 13 (6), pp.2881 - 2889. ⟨10.1021/acs.jctc.7b00342⟩
Journal articles hal-01760231v1
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Bridging Confined Phase Behavior of CH4-CO2 Binary Systems Across Scales

Lingfu Liu , Carlos Nieto-Draghi , Véronique Lachet , Ehsan Heidaryan , Saman a Aryana
Journal of Supercritical Fluids, 2022, 248, pp.105713. ⟨10.1016/j.supflu.2022.105713⟩
Journal articles hal-03777210v1