Micro-continuum approach for mineral precipitation

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23 Scopus citations

Abstract

Rates and extents of mineral precipitation in porous media are difficult to predict, in part because laboratory experiments are problematic. It is similarly challenging to implement numerical methods that model this process due to the need to dynamically evolve the interface of solid material. We developed a multiphase solver that implements a micro-continuum simulation approach based on the Darcy–Brinkman–Stokes equation to study mineral precipitation. We used the volume-of-fluid technique in sharp interface implementation to capture the propagation of the solid mineral surface. Additionally, we utilize an adaptive mesh refinement method to improve the resolution of near interface simulation domain dynamically. The developed solver was validated against both analytical solution and Arbitrary Lagrangian–Eulerian approach to ensure its accuracy on simulating the propagation of the solid interface. The precipitation of barite (BaSO4) was chosen as a model system to test the solver using variety of simulation parameters: different geometrical constraints, flow conditions, reaction rate and ion diffusion. The growth of a single barite crystal was simulated to demonstrate the solver’s capability to capture the crystal face specific directional growth.

Original languageEnglish
Article number3495
JournalScientific Reports
Volume11
Issue number1
DOIs
StatePublished - Dec 2021

Funding

This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. This research used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725, as well as the National Energy Research Scientific Computing Center (NERSC) clusters, a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231.

FundersFunder number
CADESDE-AC05-00OR22725
Data Environment for Science
U.S. Department of EnergyDE-AC02-05CH11231
Office of Science
Basic Energy Sciences
Savannah River Operations Office, U.S. Department of Energy
Chemical Sciences, Geosciences, and Biosciences Division
Idaho Operations Office, U.S. Department of Energy

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