Pore-Scale Modeling of Mineral Growth and Nucleation in Reactive Flow

Starchenko, Vitalii

doi:10.3389/frwa.2021.800944

Title: Pore-Scale Modeling of Mineral Growth and Nucleation in Reactive Flow

Journal Article · Fri Jan 14 00:00:00 EST 2022 · Frontiers in Water

DOI:https://doi.org/10.3389/frwa.2021.800944· OSTI ID:1840064

Starchenko, Vitalii

A fundamental understanding of mineral precipitation kinetics relies largely on microscopic observations of the dynamics of mineral surfaces exposed to supersaturated solutions. Deconvolution of tightly bound transport, surface reaction, and crystal nucleation phenomena still remains one of the main challenges. Particularly, the influence of these processes on texture and morphology of mineral precipitate remains unclear. This study presents a coupling of pore-scale reactive transport modeling with the Arbitrary Lagrangian-Eulerian approach for tracking evolution of explicit solid interface during mineral precipitation. It incorporates a heterogeneous nucleation mechanism according to Classical Nucleation Theory which can be turned “on” or “off.” This approach allows us to demonstrate the role of nucleation on precipitate texture with a focus at micrometer scale. In this work precipitate formation is modeled on a 10 micrometer radius particle in reactive flow. The evolution of explicit interface accounts for the surface curvature which is crucial at this scale in the regime of emerging instabilities. The results illustrate how the surface reaction and reactive fluid flow affect the shape of precipitate on a solid particle. It is shown that nucleation promotes the formation of irregularly shaped precipitate and diminishes the effect of the flow on the asymmetry of precipitation around the particle. The observed differences in precipitate structure are expected to be an important benchmark for reaction-driven precipitation in natural environments.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1840064

Alternate ID(s):: OSTI ID: 1844877

Journal Information:: Frontiers in Water, Journal Name: Frontiers in Water Vol. 3; ISSN 2624-9375

Publisher:: Frontiers Media SACopyright Statement

Country of Publication:: Switzerland

Language:: English

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