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A Multi-Scale Modeling of Confined Fluid: from Nanopore to Unconventional Reservoir Simulation

Nicolas Sobecki , Shihao Wang , Didier Yu Ding , Carlos Nieto-Draghi , Yu-Shu Wu
Journal of Petroleum Science and Engineering, 2020, 193, pp.107364. ⟨10.1016/j.petrol.2020.107364⟩
Journal articles hal-02864309v1
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Cooperative Effects Dominating the Thermodynamics and Kinetics of Surfactant Adsorption in Porous Media: From Lateral Interactions to Surface Aggregation

Zaineb Zaafouri , Daniela Bauer , Guillaume Batôt , Carlos Nieto-Draghi , Benoit Coasne
Journal of Physical Chemistry B, 2020, 124 (47), pp.10841-10849. ⟨10.1021/acs.jpcb.0c08226⟩
Journal articles hal-03118492v1
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Lattice Boltzmann method for adsorption under stationary and transient conditions: Interplay between transport and adsorption kinetics in porous media

Zaineb Zaafouri , Guillaume Batôt , Carlos Nieto-Draghi , Benjamin Rotenberg , Daniela Bauer , et al.
Physical Review E , 2021, 104 (1), pp.015314. ⟨10.1103/PhysRevE.104.015314⟩
Journal articles hal-03329850v1
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Equilibrium and Transport Properties of Primary, Secondary and Tertiary Amines by Molecular Simulation

Gustavo A. Orozco , Carlos Nieto-Draghi , Allan D. Mackie , Véronique Lachet
Oil & Gas Science and Technology - Revue d'IFP Energies nouvelles, 2014, 69 (5), pp.833-849. ⟨10.2516/ogst/2013144⟩
Journal articles hal-01085315v1
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Impact of Electrolytes on Produced Water Destabilization

L. Plassard , A. Mouret , C. Nieto-Draghi , C. Dalmazzone , D. Langevin , et al.
Energy & Fuels, 2022, 36 (3), pp.1271-1282. ⟨10.1021/acs.energyfuels.1c02490⟩
Journal articles hal-04037901v1
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Impact of Adsorption Kinetics on Pollutant Dispersion in Water Flowing in Nanopores: A Lattice Boltzmann Approach to Stationary and Transient Conditions

Zaineb Zaafouri , Guillaume Batôt , Carlos Nieto-Draghi , Benoit Coasne , Daniela Bauer
Advances in Water Resources, 2022, 162, pp.104143. ⟨10.1016/j.advwatres.2022.104143⟩
Journal articles hal-03619397v1

Adsorption of CO2, CH4, and N2 on Zeolitic Imidazolate Frameworks: Experiments and Simulations

Javier Pérez-Pellitero , Hedi Amrouche , Flor r. Siperstein , Gerhard Pirngruber , Carlos Nieto-Draghi , et al.
Chemistry - A European Journal, 2010, 16 (5), pp.1560-1571. ⟨10.1002/chem.200902144⟩
Journal articles istex hal-03161220v1
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Thermodynamic study of binary systems containing sulphur dioxide and nitric oxide: measurements and modelling

Benoit Creton , Carlos Nieto-Draghi , Theodorus de Bruin , Véronique Lachet , Elise El Ahmar , et al.
Fluid Phase Equilibria, 2018, 461, pp.84-100. ⟨10.1016/j.fluid.2017.12.036⟩
Journal articles hal-01701205v1
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Comparisons of Molecular Structure Generation Methods Based on Fragment Assemblies and Genetic Graphs

Philippe Gantzer , Benoit Creton , Carlos Nieto-Draghi
Journal of Chemical Information and Modeling, 2021, 61 (9), pp.4245-4258. ⟨10.1021/acs.jcim.1c00803⟩
Journal articles hal-03498045v1

A general guidebook for the theoretical prediction of physicochemical properties of chemicals for regulatory purposes

Carlos Nieto-Draghi , Guillaume Fayet , Benoît Creton , Xavier Rozanska , Patricia Rotureau , et al.
Chemical Reviews, 2015, 115 (24), pp.13093-13164. ⟨10.1021/acs.chemrev.5b00215⟩
Journal articles ineris-01855187v1
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Mineral- and Ion-Specific Effects at Clay–Water Interfaces: Structure, Diffusion, and Hydrodynamics

Pauline Simonnin , Virginie Marry , Benoit Noetinger , Carlos Nieto-Draghi , Benjamin Rotenberg
Journal of Physical Chemistry C, 2018, 122 (32), pp.18484 - 18492. ⟨10.1021/acs.jpcc.8b04259⟩
Journal articles hal-01872554v1
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Phase behavior of hydrocarbons in nano-pores

Nicolas Sobecki , Carlos Nieto-Draghi , Angela Di Lella , Didier Yu Ding
Fluid Phase Equilibria, 2019, 497, pp.104-121. ⟨10.1016/j.fluid.2019.05.025⟩
Journal articles hal-02303623v1
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Thermodynamically consistent force field for coarse-grained modeling of aqueous electrolyte solution

Carlos Nieto-Draghi , Bernard Rousseau
Journal of Physical Chemistry B, 2019, 123 (10), pp.2424-2431. ⟨10.1021/acs.jpcb.8b11190⟩
Journal articles hal-02158903v1

Impact of functionalized linkers on the energy landscape of ZIFs

Raimondas Galvelis , Ben Slater , Robin Chaudret , Benoît Creton , Carlos Nieto-Draghi , et al.
CrystEngComm, 2013, 15 (45), pp.9603-9612. ⟨10.1039/C3CE41103F⟩
Journal articles hal-00907614v1