4.7 Article

Micro-continuum approach for mineral precipitation

期刊

SCIENTIFIC REPORTS
卷 11, 期 1, 页码 -

出版社

NATURE PORTFOLIO
DOI: 10.1038/s41598-021-82807-y

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  1. U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division
  2. Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]
  3. National Energy Research Scientific Computing Center (NERSC) clusters, a U.S. Department of Energy Office of Science User Facility [DE-AC02-05CH11231]

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Rates and extents of mineral precipitation in porous media are difficult to predict, requiring complex numerical simulation methods. Researchers have developed a multiphase solver that can accurately simulate the dynamic evolution of interfaces and crystal growth directions in the process of mineral precipitation.
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.

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