Determination of the throat size distribution of a porous medium as an inverse optimization problem combining pore network modeling and genetic and hill climbing algorithms
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Updated: Nov 12, 2025

Author Spotlight: Characterizing Porous Materials for Aiding the Development of Robust Metal-Organic Frameworks with Adsorption Behavior
Published on: March 8, 2024
Otman Maalal1,2, Marc Prat1, René Peinador2
1Institut de Mécanique des Fluides de Toulouse, Université de Toulouse, Centre National de la Recherche Scientifique, 31400 Toulouse, France.
Abstract:
The pore size distribution of a porous medium is often estimated from the retention curve or the invading fluid flow rate curve using simple relationships more or less explicitly based on the consideration that the porous medium is made of a bundle of cylindrical parallel tubes. This type of determination is tested using pore network simulations. Starting from two- or three-dimensional networks, the characteristics of which are known a priori, the estimation of the throat size distribution (TSD) is performed using the standard methods in the case of drainage. Results show a significant discrepancy with the input data. The disagreement is more pronounced when the fluid flow rate curve is employed together with the parallel tubes assumption. The physical origins of these shortcomings are identified. A method, based on pore network simulations combined with a genetic algorithm and the hill climbing algorithm, is then designed, which makes simultaneous use of the nonwetting fluid flow rate curve and the retention curve of the medium. Very significant improvement is achieved in the estimation of the TSD using this procedure.
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