51 citations · 80 across the 5 of their papers we have counts for
5 papers
Monte-Carlo Multiscale Simulation Study of Argon Adsorption/Desorption Hysteresis in Mesoporous Heterogeneous Tubular Pores like MCM-41 or Oxidized Porous Silicon
Joël Puibasset
In a recent paper [J. Chem. Phys. 127, 154701 (2007)], a multiscale approach was introduced which allowed the calculation of adsorption/desorption hysteresis for fluid confined in…
Molecular simulation study of the heat capacity of metastable water between 100K and 300K
Joel Puibasset, P. Judeinstein, J. -M Zanotti
Molecular simulation study of the heat capacity of metastable water between 100K and 300K Molecular simulations have been used to study the heat capacity of metastable liquid water…
Elastic Compliance and Stiffness Matrix of the FCC Lennard-Jones Thin Films: Influence of Thickness and Temperature
J. Puibasset
The fcc Lennard-Jones crystal is used as a generic model of solid to study the elastic properties of thin films as a function of thickness and temperature. The Monte Carlo algorith…
Adsorption-Induced Deformation of a Nanoporous Material: Influence of the Fluid-Adsorbent Interaction and Surface Freezing on the Pore-Load Modulus Measurement
J. Puibasset
Liquid adsorption in nanoporous materials induces their deformation due to strong capillary forces. The linear relationship between the liquid pressure and the solid strain (pore-l…
Effect of the reservoir size on gas adsorption in inhomogeneous porous media
Edouard Kierlik, J. Puibasset, Gilles Tarjus
We study the influence of the relative size of the reservoir on the adsorption isotherms of a fluid in disordered or inhomogeneous mesoporous solids. We consider both an atomistic…