화학공학소재연구정보센터
Transport in Porous Media, Vol.125, No.2, 377-394, 2018
Determination of Nanoparticle Macrotransport Coefficients from Pore Scale Processes
Nanoparticle transport in porous media is modeled using a hierarchical set of differential equations corresponding to pore scale and macroscale. At the pore scale, movement and interaction of a single particle with a solid matrix is modeled using the advection-dispersionsorption equation. A single nanoparticle entering the space encounters viscous, diffusion and surface forces. Surface forces (electrostatic and van der Waals forces) between nanoparticles and mineral grains appear as sorption propensity on solid matrix boundary condition. These local events are then transformed into a macroscale continuum by imposing periodic boundary conditions for contiguous unit cells representing porous media and using a scheme of moment analysis. At the macroscale, propagation and retention of particles are characterized by three position-independent coefficients: mean nanoparticle velocity vector (U) over bar*, macroscopic dispersion coefficient (D) over bar*, and mean nanoparticle retention rate constant (K) over bar*. The modeling results are validated with a set of nanoparticle transport tests in porous microchips. We also present simulations of realistic porous media, where an actual image of sandstone samples is processed into binary tones. The representative unit cells are constructed from the resulting binary image by searching for areas within the sample with maximum similarities to the whole sample in terms of porosity and specific surface area, which are found to show strong correlations with the resulting (U) over bar* and (K) over bar*, respectively.