Bottom-up model of adsorption and transport in multiscale porous media

We develop a model of transport in multiscale porous media which accounts for adsorption in the different porosity scales. This model employs statistical mechanics to upscale molecular simulation and describe adsorption and transport at larger time and length scales. Using atom-scale simulations, wh...

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Bibliographic Details
Main Authors: Ulm, Franz-Josef, Botan, Alexandru, Pellenq, Roland Jm, Coasne, Benoit Alain
Other Authors: Massachusetts Institute of Technology. Department of Civil and Environmental Engineering
Format: Article
Language:English
Published: American Physical Society 2015
Online Access:http://hdl.handle.net/1721.1/96427
https://orcid.org/0000-0002-7089-8069
https://orcid.org/0000-0001-5559-4190