Molecular modeling of mercury porosimetry.

Beitrag in einer Fachzeitschrift

Details zur Publikation

Autorinnen und Autoren: Thommes M
Zeitschrift: Studies in Surface Science and Catalysis
Verlag: Elsevier B.V.
Jahr der Veröffentlichung: 2007
Band: 160
Heftnummer: Characterization of Porous Solids VII
Seitenbereich: 87-94-94
ISSN: 0167-2991


We review a recently developed mol.-based approach for modeling mercury porosimetry. This approach is built on the use of a lattice model of the porous material microstructure and the use of mean-field d. functional theory (MF-DFT) calcns. and Monte Carlo simulations to calc. the three-dimensional d. distribution in the system. The lattice model exhibits a symmetry between the adsorption/desorption of a wetting fluids and intrusion/extrusion of a nonwetting fluid. In consequence, macroscopic approaches used previously to transform mercury porosimetry curves into gas adsorption isotherms are essentially exact in the context of the model. We illustrate the approach with some sample results for intrusion and extrusion in Vycor and controlled pore glass (CPG). [on SciFinder(R)]

FAU-Autorinnen und Autoren / FAU-Herausgeberinnen und Herausgeber

Thommes, Matthias Prof. Dr.
Lehrstuhl für Thermische Verfahrenstechnik

Zuletzt aktualisiert 2019-14-03 um 20:53