Computational Characterization of a Pore Network Model by Using a Fast Nitrogen Porosimetry Simulation

Gabriel A. Ledezma Lopez (1, 2) , Jan Verstraete (1) , Loic Sorbier (1) , Damien Leinekugel-Le-Cocq (1) , Elsa Jolimaître (1) , Christian Jallut (2)

1 IFPEN - IFP Energies nouvelles
2 LAGEPP - Laboratoire d'automatique, de génie des procédés et de génie pharmaceutique

Nitrogen porosimetry is a characterization technique used to obtain qualitative and quantitative information about the textural properties of porous materials. The physical phenomena exploited in the technique is related to thermodynamic equilibrium and conditioned by pore blocking. The latter phenomenon becomes relevant in highly disordered solids with a wide pore size distribution and a multilevel organization. The aforementioned technique encloses topological information associated with the trend of sorption isotherm. In this work, it is shown how a pore network model can be used to simulate nitrogen sorption process by using an efficient algorithm that combines equilibrium conditions and invasion percolation considerations. Such simulation tool will be the basis for a more comprehensive treatment of experimental characteristic curves and characterization of porous material properties.

Mots clés: Digital characterization; Porosimetry; Pore Network Model; Catalyst support; Percolation algorithm; Simulation

Domaines: Mathématiques [math]; Chimie analytique

Gabriel A. Ledezma Lopez, Jan Verstraete, Loic Sorbier, Damien Leinekugel-Le-Cocq, Elsa Jolimaître, et al.. Computational Characterization of a Pore Network Model by Using a Fast Nitrogen Porosimetry Simulation. Computer Aided Chemical Engineering, 2021, Computer Aided Chemical Engineering, 50, pp.1111-1116. ⟨10.1016/B978-0-323-88506-5.50171-6⟩. ⟨hal-03476808⟩