Pore-scale simulation of entrapped non-aqueous phase liquid dissolution |
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Authors: | C Pan E Dalla D Franzosi CT Miller |
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Institution: | 1. Department of Environmental Sciences and Engineering, University of North Carolina, CB 7400, 104 Rosenau Hall, Chapel Hill, NC, 27599-7400, USA;2. Department of Environmental Sciences, University of Milano-Bicocca, Piazza della Scienza 1, 20126 Milano, Italy |
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Abstract: | We investigated the dissolution of non-aqueous phase liquids (NAPLs) in a three-dimensional random sphere-pack medium using a pore-scale modeling approach to advance fundamental understanding and connect rigorously to microscale processes. Residual NAPL distributions were generated using a morphological approach and the entrapped non-wetting phase was quantitatively characterized by calculating volume, orientation, interfacial area, and shape of isolated NAPL regions. With a detailed aqueous-phase flow field obtained by a multiple-relaxation time lattice Boltzmann approach, we solved the advective–diffusive equation in the pore space using a high-resolution, adaptive-stencil finite-volume scheme and an operator-splitting algorithm. We show good agreement between the mass transfer rates predicted in the computational approach and previously published experimental observations. The pore-scale simulations presented in this work provide the first three-dimensional comparison to the considerable experimental work that has been performed to derive constitutive relations to quantify mass transfer from a residual NAPL to a flowing aqueous phase. |
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Keywords: | NAPL Dissolution Mass transfer Lattice Boltzmann |
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