Finite-time mixing and reaction in packed bed reactors

Abstract

We investigate mixing dynamics in porous media at finite times, using pore-scale lattice-Boltzmann simulations combined with Lagrangian particle tracking. We compute fluid deformation in randomly packed beds based on the moving Protean frame approach introduced by Lester 2018. From the extracted Lagrangian kinematics, we construct a mixing model based on lamellar aggregation that well predicts the Eulerian scalar fields obtained from simulations. Our results reveal an early time mixing regime dominated by shear-driven fluid deformation, where solute mixing arises from the random overlap of diffusive concentration elements. In this regime, mixing proceeds slowly and follows a temporal decay of concentration variance, ${\sigma }_c^2\sim P{e}^{-\alpha /(2\alpha +1)}{t}^{-1/2}$, where Pe is the Peclet number and $\alpha$ the exponent characterizing shear deformation. This dynamic arises when the Peclet number is small relative to the ratio between the exponential-mixing and shear-deformation timescales. This analysis also demonstrates that shear-induced mixing govern the homogenization of early-stage reactions at the fluid-solid interface in finite-size random packed beds, typically operating at moderate Peclet numbers $Pe=O(10^2)$.

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