TY  - SER
AU  - Puibasset,J.
TI  - Improving Molecular Simulation Models of Adsorption in Porous Materials: Interdependence between Domains
PY  - 2012///
CY  - 
PB  - 
N2  - Traducción del resúmen del autor: Fluid confinement is ubiquitous in nature and industry, and is the most widely used technique to characterize porous materials. The main characterization tool consists in measuring the so-called adsorption/desorption isotherms, i.e. the amount of gas adsorbed by the porous substrate as a function of the fluid chemical potential (or relative pressure). The models used to analyse the data are generally quite simple, leading to inaccurate characterization of the porous materials. In particular, ignoring the interdependence between the elemental pores or domains leads to inappropriate conclusions. Our approach proposes to cure this problem in the molecular simulation approaches
ER  -