Multi-scale modeling of crystal-fluid interactions: State-of-the-art, challenges and prospects

Kurganskaya, Inna; Rohlfs, Ricarda D.; Lüttge, Andreas

doi:10.1016/b978-0-323-85669-0.00034-9

Cited by 1 publication

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“…The research of Kurganskaya et al. (2023) discusses the modeling of crystal‐liquid interaction at different scales (atomistic to meso‐scale), in order to examine and comprehend various geological phenomena, including mineral dissolution. Except for the LSM, all the above‐discussed numerical methodologies are based on the sharp‐interface approach.…”

Section: Introductionmentioning

confidence: 99%

“…Since the dissolution process of minerals affects the overall rock porosity and permeability at macroscale, a coupled micro-macro model using an up-scaling technique (Ray et al, 2019) has also been proposed, for the same. The research of Kurganskaya et al (2023) discusses the modeling of crystal-liquid interaction at different scales (atomistic to meso-scale), in order to examine and comprehend various geological phenomena, including mineral dissolution. Except for the LSM, all the above-discussed numerical methodologies are based on the sharp-interface approach.…”

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confidence: 99%

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Qualitative Dissolution Modeling of Etch‐Pit Formation on the K‐Feldspar Surface Through Phase‐Field Approach

et al. 2023

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Reservoir quality of sandstones can be controlled by the dissolution of minerals such as K‐feldspar. The present work investigates the impact of dissolution of K‐feldspar (Orthoclase) on the resulting porosity and permeability of sandstones using a thermodynamically consistent multiphase‐field model. Two novel aspects of this research are: (a) identification and calibration of interfacial surface energy and kinetics related model parameters based on existing literature, to account for the formation and growth of diamond‐shaped etch‐pits during dissolution, and (b) the workflow for three‐dimensional modeling of dissolution at sub‐micrometer scale within individual feldspar grains, followed by up‐scaling the phenomenon to a multigrain pack analogous to sandstone. The simulated dissolution, when visualized in the relevant planes, show clear similarities with microphotographs of natural samples and previous numerical works, in terms of facet‐formation and merging of the etch‐pit morphologies. For the computation of permeability, computational fluid dynamics analysis was performed for grain packs at different stages of dissolution. Finally, the generated data‐sets were analyzed to study the impact of rock properties including a fraction of feldspar grains and their crystallographic orientation on the porosity, permeability and their correlations, for sandstones undergoing K‐feldspar dissolution. At the same porosity, sandstones containing a greater proportion of K‐feldspar grains are expected to have greater permeabilities. The devised workflow for model calibration and up‐scaling complimented by the innovative post‐processing and visualization techniques can be adapted to study dissolution of other minerals in different rocks.

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Section: Introductionmentioning

confidence: 99%

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confidence: 99%