Clays in contact with water, ions and CO2: interfacial properties and hydrodynamics on the molecular scale
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Clays are ubiquitous minerals which play an important role in a number of environmental and industrial contexts, such as the geological disposal of radioactive waste or carbon dioxide sequestration. In both cases, one must be able to predict how mobile species will be transported through and retained by these porous materials. This requires a detailed understanding of the processes at play at the interface between the mineral and the pore fluids, including wetting, electrostatics or hydrodynamics. In this talk, I will describe some contributions of molecular simulations to the field. These include insights into the questions of the swelling/shrikage of clay particles in contact with a CO2 reservoir, the wetting of external surfaces by CO2 or water and the validity of continuous hydrodynamic descriptions in clay nanopores.
This talk is part of the Institute for Energy and Environmental Flows (IEEF) series.
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