Benoit Coasne

TL;DR: The results above show that the adsorption, structure, and dynamics of benzene confined in disordered porous carbons cannot be described in simple terms using an ideal model such as the slit pore geometry.

TL;DR: In this article, the authors investigated the Stern layer of charged silica-water interfaces by calculating the ion-surface interaction from molecular dynamics simulations, and provided a new image of the Stern layers.

TL;DR: An extended version of this model is presented to confined systems for which an increase in the freezing temperature is observed, and it is shown that such a strong effect of pressure is not related to reduced compressibility within the pores.

TL;DR: In this paper, a molecular simulation study on the freezing of argon within two models of activated porous carbons is presented, where a regular slit-shaped nanopore is used to represent an ordered graphitic porous carbon with a single pore width.

TL;DR: In this article, the authors developed two models to study the pressure tensor of an argon nanophase confined in carbon micropores by molecular simulation, and showed that the in-pore tangential pressure is positive and on the order of 10 4 Â bar, while the normal pressure can be positive or negative depending on pore width, with a magnitude of ∼10 3 Âbar at ambient bulk pressure.