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Bottom-up model of adsorption and transport in multiscale porous media
2015
Physical Review E
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, which capture the changes in adsorption and transport with temperature, pressure, pore size, etc., this approach does not assume any adsorption or flow type. Moreover, by relating the local chemical
doi:10.1103/physreve.91.032133
pmid:25871080
fatcat:jfsjprfysrcbhlofe7y6pstkn4