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Vermorel, Romain, Oulebsir, Fouad, Galliero, Guillaume (2017) Communication: A method to compute the transport coefficient of pure fluids diffusing through planar interfaces from equilibrium molecular dynamics simulations. The Journal of Chemical Physics, 147 (10). 101102pp. doi:10.1063/1.4997865

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Reference TypeJournal (article/letter/editorial)
TitleCommunication: A method to compute the transport coefficient of pure fluids diffusing through planar interfaces from equilibrium molecular dynamics simulations
JournalThe Journal of Chemical Physics
AuthorsVermorel, RomainAuthor
Oulebsir, FouadAuthor
Galliero, GuillaumeAuthor
Year2017 (September 14)Volume147
Issue10
PublisherAIP Publishing
DOIdoi:10.1063/1.4997865Search in ResearchGate
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Mindat Ref. ID2393375Long-form Identifiermindat:1:5:2393375:6
GUID0
Full ReferenceVermorel, Romain, Oulebsir, Fouad, Galliero, Guillaume (2017) Communication: A method to compute the transport coefficient of pure fluids diffusing through planar interfaces from equilibrium molecular dynamics simulations. The Journal of Chemical Physics, 147 (10). 101102pp. doi:10.1063/1.4997865
Plain TextVermorel, Romain, Oulebsir, Fouad, Galliero, Guillaume (2017) Communication: A method to compute the transport coefficient of pure fluids diffusing through planar interfaces from equilibrium molecular dynamics simulations. The Journal of Chemical Physics, 147 (10). 101102pp. doi:10.1063/1.4997865
In(2017, September) The Journal of Chemical Physics Vol. 147 (10) AIP Publishing

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Oulebsir, Fouad, Vermorel, Romain, Galliero, Guillaume (2018) Diffusion of Supercritical Fluids through Single-Layer Nanoporous Solids: Theory and Molecular Simulations. Langmuir, 34. 561-571 doi:10.1021/acs.langmuir.7b03486
Bonnaud, Patrick A., Oulebsir, Fouad, Galliero, Guillaume, Vermorel, Romain (2023) Modeling competitive adsorption and diffusion of CH4/CO2 mixtures confined in mature type-II kerogen: Insights from molecular dynamics simulations. Fuel, 352. 129020 doi:10.1016/j.fuel.2023.129020
Guo, Juncheng, Galliero, Guillaume, Vermorel, Romain (2023) From molecular sieving to gas effusion through nanoporous 2D graphenes: Comparison between analytical predictions and molecular simulations. The Journal of Chemical Physics, 159 (8) doi:10.1063/5.0161980
Guo, Juncheng, Galliero, Guillaume, Vermorel, Romain (2022) Modeling gas permeation mechanisms through 2D membranes: Comparison between a phenomenological model and extensive molecular simulations. The Journal of Chemical Physics, 157 (22) 224704 doi:10.1063/5.0128632
Collell, Julien, Galliero, Guillaume, Vermorel, Romain, Ungerer, Philippe, Yiannourakou, Marianna, Montel, François, Pujol, Magali (2015) Transport of Multicomponent Hydrocarbon Mixtures in Shale Organic Matter by Molecular Simulations. The Journal of Physical Chemistry C, 119 (39). 22587-22595 doi:10.1021/acs.jpcc.5b07242
Hoang, Hai, Galliero, Guillaume (2012) Grand canonical-like molecular dynamics simulations: Application to anisotropic mass diffusion in a nanoporous medium. The Journal of Chemical Physics, 136 (18). 184702pp. doi:10.1063/1.4712139
Lautenschlaeger, Martin P., Hasse, Hans (2018) Thermal and caloric properties of fluids from non-equilibrium molecular dynamics simulations using the two-gradient method. The Journal of Chemical Physics, 149 (24). 244106pp. doi:10.1063/1.5063985
Collell, Julien, Galliero, Guillaume (2014) Determination of the thermodynamic correction factor of fluids confined in nano-metric slit pores from molecular simulation. The Journal of Chemical Physics, 140 (19). 194702pp. doi:10.1063/1.4875703
Hoang, Hai, Galliero, Guillaume (2012) Shear viscosity of inhomogeneous fluids. The Journal of Chemical Physics, 136 (12). 124902pp. doi:10.1063/1.3696898
Zhuang, Yuan, Charbonneau, Patrick (2017) Communication: Microphase equilibrium and assembly dynamics. The Journal of Chemical Physics, 147 (9). 91102pp. doi:10.1063/1.4996904
Galliero, Guillaume, Boned, Christian (2008) Molecular dynamics study of the repulsive form influence of the interaction potential on structural, thermodynamic, interfacial, and transport properties. The Journal of Chemical Physics, 129 (7). 74506pp. doi:10.1063/1.2969766
 
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