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Upscaling Diffusion and Nonlinear Reactive Mass Transport in Homogeneous Porous Media

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Title Upscaling Diffusion and Nonlinear Reactive Mass Transport in Homogeneous Porous Media
Names Lugo-Méndez, Helen D. (creator)
Valdés-Parada, Francisco J. (creator)
Porter, Mark L. (creator)
Wood, Brian D. (creator)
Ochoa-Tapia, J. Alberto (creator)
Date Issued 2015-04 (iso8601)
Note To the best of our knowledge, one or more authors of this paper were federal employees when contributing to this work. This is the publisher’s final pdf. The published article is copyrighted by Springer and can be found at: http://link.springer.com/journal/11242.
Abstract In this work, we revisit the upscaling process of diffusive mass transfer of a solute
undergoing a homogeneous reaction in porous media using the method of volume averaging.
For linear reaction rate kinetics, the upscaled model exhibits a vis-à-vis correspondence
with the mass transfer governing equation at the microscale. When nonlinear reactions are
present, other methods must be adopted to upscale the nonlinear term. In this work, we explore
a linearization approach for the purpose of solving the associated closure problem. For large
rates of nonlinear reaction relative to diffusion, the effective diffusion tensor is shown to
be a function of the reaction rate, and this dependence is illustrated by both numerical and
analytical means. This approach leads to a macroscale model that also has a similar structure
as the microscale counterpart. The necessary conditions for the vis-à-vis correspondence
are clearly identified. The validation of the macroscale model is carried out by comparison
with pore-scale simulations of the microscale transport process. The predictions of both
concentration profiles and effectiveness factors were found to be in acceptable agreement.
In an appendix, we also briefly discuss an integral formulation of the nonlinear problem that
may be useful in developing more accurate results for the upscaled transport and reaction
equations; this approach requires computing the Green function corresponding to the linear
transport problem.
Genre Article
Topic Upscaling
Identifier Lugo-Méndez, H. D., Valdés-Parada, F. J., Porter, M. L., Wood, B. D., & Ochoa-Tapia, J. A. (2015). Upscaling Diffusion and Nonlinear Reactive Mass Transport in Homogeneous Porous Media. Transport in Porous Media, 107(3), 683-716. doi:10.1007/s11242-015-0462-4

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