Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?

Nadia Ben Chiekh Mansour (1, 2) , Julia Paredes (1) , Hengli Zhao (1) , Anthony Szymczyk (3) , Ezzedine Ferjani (4, 5) , Aziz Ghoufi (1)

1 IPR - Institut de Physique de Rennes
2 UTM - Université de Tunis El Manar
3 ISCR - Institut des Sciences Chimiques de Rennes
4 UCAR - Université de Carthage (Tunisie)
5 CERTE - Centre de Recherche et Technologies des Eaux

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.

Mots clés: Interfacial tension; water permeability; nanoporous membrane; h-BN-water interface

Domaines: Physique [physics]

Nadia Ben Chiekh Mansour, Julia Paredes, Hengli Zhao, Anthony Szymczyk, Ezzedine Ferjani, et al.. Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?. Molecular Physics, 2022, 120 (8), ⟨10.1080/00268976.2022.2038296⟩. ⟨hal-03629776⟩