Modeling Method for Semicrystalline Polymers Controlling Aspects of the Morphology at the Molecular Scale for the Study of Mechanical and Physicochemical Properties
Belin, Boris, Yiannourakou, Marianna, Lachet, Véronique, Rousseau, Bernard
Published in The journal of physical chemistry. B (24.11.2022)
Published in The journal of physical chemistry. B (24.11.2022)
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Journal Article
Simulations of Interfacial Tension of Liquid–Liquid Ternary Mixtures Using Optimized Parametrization for Coarse-Grained Models
Steinmetz, David, Creton, Benoit, Lachet, Véronique, Rousseau, Bernard, Nieto-Draghi, Carlos
Published in Journal of chemical theory and computation (14.08.2018)
Published in Journal of chemical theory and computation (14.08.2018)
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Journal Article
A numerical model for offshore Geological Carbon Storage (GCS) undergoing hydrate formation
Wang, Yufei, Flauraud, Eric, Michel, Anthony, Lachet, Véronique, Meiller, Clémentine
Published in Computational geosciences (24.07.2024)
Published in Computational geosciences (24.07.2024)
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Journal Article
Experimental and Mesoscopic Modeling Study of Water/Crude Oil Interfacial Tension
Steinmetz, David, Arriola González, Kevin R, Lugo, Rafael, Verstraete, Jan, Lachet, Véronique, Mouret, Aurélie, Creton, Benoit, Nieto-Draghi, Carlos
Published in Energy & fuels (05.08.2021)
Published in Energy & fuels (05.08.2021)
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Journal Article
Bridging confined phase behavior of CH4-CO2 binary systems across scales
Liu, Lingfu, Nieto-Draghi, Carlos, Lachet, Véronique, Heidaryan, Ehsan, Aryana, Saman A.
Published in The Journal of supercritical fluids (01.10.2022)
Published in The Journal of supercritical fluids (01.10.2022)
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Journal Article
Transferable Force Field for Alcohols and Polyalcohols
Ferrando, Nicolas, Lachet, Véronique, Teuler, Jean-Marie, Boutin, Anne
Published in The journal of physical chemistry. B (30.04.2009)
Published in The journal of physical chemistry. B (30.04.2009)
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Journal Article
Solubility study of binary systems containing sulfur dioxide and water: A combination of Raman spectroscopy and Monte Carlo molecular simulation
Saadallah, Khouloud, Lachet, Véronique, Creton, Benoit, Caumon, Marie-Camille, Randi, Aurélien, Sterpenich, Jérôme
Published in Fluid phase equilibria (01.11.2023)
Published in Fluid phase equilibria (01.11.2023)
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Journal Article
Quantitative Predictions of the Interfacial Tensions of Liquid–Liquid Interfaces through Atomistic and Coarse Grained Models
Neyt, Jean-Claude, Wender, Aurélie, Lachet, Véronique, Ghoufi, Aziz, Malfreyt, Patrice
Published in Journal of chemical theory and computation (13.05.2014)
Published in Journal of chemical theory and computation (13.05.2014)
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Journal Article
Application of thermodynamics at different scales to describe the behaviour of fast reacting binary mixtures in vapour-liquid equilibrium
Lasala, Silvia, Samukov, Konstantin, Mert Polat, H., Lachet, Véronique, Herbinet, Olivier, Privat, Romain, Jaubert, Jean-Noël, Moultos, Othonas A., De Ras, Kevin, J. H. Vlugt, Thijs
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01.03.2024)
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01.03.2024)
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Journal Article
A Transferable Force Field To Predict Phase Equilibria and Surface Tension of Ethers and Glycol Ethers
Ferrando, Nicolas, Lachet, Véronique, Pérez-Pellitero, Javier, Mackie, Allan D., Malfreyt, Patrice, Boutin, Anne
Published in The journal of physical chemistry. B (15.09.2011)
Published in The journal of physical chemistry. B (15.09.2011)
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Journal Article
NO solubility in water and brine up to 60 MPa and 373 K by combining Raman spectroscopy and molecular simulation
Sterpenich, Jérôme, Caumon, Marie‐Camille, Lachet, Véronique, Creton, Benoit, El Jarmouni, Mohamed, Randi, Aurélien, Robert, Pascal
Published in Journal of Raman spectroscopy (01.03.2022)
Published in Journal of Raman spectroscopy (01.03.2022)
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