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Interdépendence entre géométrie, adsorption et transport dans les matériaux à porosité hiérachique

Abstract : The aim of this work concerns the interplay between porosity, transport and adsorption in hierarchical porous materials. This work combine a simulation and an experimental approach. Transport and adsorption are simulated with a Lattice-Boltzmann model recently extended to take adsorption into account. This mesoscopic model allows to compute fluid and solute behavior in porous materials. The synthesis of hierarchical porous materials using ice-templating and the characterization of materials geometry with X-ray tomography allowed to compute simulations on real materials. The comparison between experimental and simualtion results have proved the efficency of the model to model fluid and species behavior in the materials. Using this model, the interplay between transport and adsorption have been studied highlighting an effect of the fluid flow on adsorbed density. The effect of roughness and material geometry have also been studied. Finally the modification of the modelallows now to simulate the kinematic of a pulse of species. This modification gives a tool to perform simulation in non-steady state flow and evaluate the adsorption site accessibility regarding to the flow field.
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  • HAL Id : tel-01743838, version 1

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Jean-Mathieu Vanson. Interdépendence entre géométrie, adsorption et transport dans les matériaux à porosité hiérachique. Chimie théorique et/ou physique. Université Paris sciences et lettres, 2016. Français. ⟨NNT : 2016PSLEE040⟩. ⟨tel-01743838⟩

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