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Ghoufi, Aziz
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Topics
Publications (15/15 displayed)
- 2024Surface free energy calculation of the solid–fluid interfaces from molecular simulationcitations
- 2022Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?
- 2022Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?
- 2021Static dielectric permittivity of ionic liquids ultraconfined in carbon nanotubescitations
- 2021Static dielectric permittivity of ionic liquids ultraconfined in carbon nanotubescitations
- 2021Static dielectric permittivity of ionic liquids ultraconfined in carbon nanotubescitations
- 2017Interactions of Organics within Hydrated Selective Layer of Reverse Osmosis Desalination Membrane: A Combined Experimental and Computational Studycitations
- 2016Is Fine-Grained Simulation Able to Propose New Polyelectrolyte Membranes?citations
- 2016Microscopic Model of the Metal-Organic Framework/Polymer Interface: A First Step toward Understanding the Compatibility in Mixed Matrix Membranescitations
- 2015Unravelling the Anomalous Dielectric Permittivity of Nanoconfined Electrolyte Solutionscitations
- 2015Tunable dielectric constant of water at the nanoscalecitations
- 2015Superpermittivity of nanoconfined water.citations
- 2014Concentration Dependence of the Dielectric Permittivity, Structure and Dynamics of Aqueous NaCl Solutions: Comparison between the Drude Oscillator and Electronic Continuum Models.citations
- 2013Nanoconfined Electrolyte Solutions in porous Hydrophilic Silica Membranes.citations
- 2012Calculation of local dielectric permittivity of confined liquids from spatial dipolar correlationscitations
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article
Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?
Abstract
In this work, the relationship between the water flux through nanoporous two-dimensional hexagonal Boron Nitride (h-BN) and surface tension was investigated from equilibrium and pressure-driven molecular dynamics simulations by considering the most popular rigid water models. From the surface tension calculation, the contact angle was evaluated and compared with the experiment. We exhibit a correlation between the water flux through nanoporous h-BN predicted by the various water models and the surface tension as a result of the difference in the interfacial energy.