title: Transport and adsorption under liquid flow: the role of pore geometry.
abstract: We study here the interplay between transport and adsorption in porous systems with complex geometries under fluid flow. Using a lattice Boltzmann scheme extended to take into account the adsorption at solid/fluid interfaces, we investigate the influence of pore geometry and internal surface roughness on the efficiency of fluid flow and the adsorption of molecular species inside the pore space. We show how the occurrence of roughness on pore walls acts effectively as a modification of the solid/fluid boundary conditions, introducing slippage at the interface. We then compare three common pore geometries, namely honeycomb pores, inverse opal, and materials produced by spinodal decomposition. Finally, we quantify the influence of those three geometries on fluid transport and tracer adsorption. This opens perspectives for the optimization of materials' geometries for applications in dynamic adsorption under fluid flow.
authors.affiliation: École Normale Supérieure, PSL Research University, Département de Chimie, Sorbonne Universités-UPMC Univ Paris 06, CNRS UMR 8640 PASTEUR, 24 rue Lhomond, 75005 Paris, France. anne.boutin@ens.fr and Laboratoire de Synthèse et Fonctionnalisation des Céramiques, UMR 3080 Saint Gobain CREE/CNRS, 550 Avenue Alphonse Jauffret, 84306 Cavaillon, France.
authors.forename: Jean-Mathieu
authors.initials: JM
authors.lastname: Vanson
authors.affiliation: École Normale Supérieure, PSL Research University, Département de Chimie, Sorbonne Universités-UPMC Univ Paris 06, CNRS UMR 8640 PASTEUR, 24 rue Lhomond, 75005 Paris, France. anne.boutin@ens.fr.
authors.forename: Anne
authors.initials: A
authors.lastname: Boutin
authors.affiliation: Laboratoire de Synthèse et Fonctionnalisation des Céramiques, UMR 3080 Saint Gobain CREE/CNRS, 550 Avenue Alphonse Jauffret, 84306 Cavaillon, France.
authors.forename: Michaela
authors.initials: M
authors.lastname: Klotz
authors.affiliation: Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris, 75005 Paris, France. fx.coudert@chimie-paristech.fr.
authors.forename: François-Xavier
authors.identifier: http://orcid.org/0000-0001-5318-3910
authors.initials: FX
authors.lastname: Coudert