Search NASA⌕ Search

SEARCH · Search NASA

Results for “MINERALS”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Measuring accurate optical constants of uranium minerals for use in optical modeling of infrared spectra

Knowledge of the bulk optical constants n and k of solids or liquids allows researchers to accurately predict the absorption, reflection, and scattering properties of materials for different physical forms. Indeed, chemically complex materials such as minerals can have an almost limitless variety of morphologies, particle sizes, shapes, and compositions, but the optical properties of such species can be predicted if the optical constants are known. For species such as minerals, however, there can be additional challenges due to e.g. hydration or dehydration during the course of the optical constants measurement. Here, we describe the protocols to obtain the bulk optical constants n and k of uranium-bearing minerals and ores such as uraninite or autunite. If quality n and k data are at hand, the (infrared) reflectance spectra can be predicted for different particle sizes and morphologies and the modeling results for various scenarios can be derived.

infrared (IR) spectroscopy, optical constants, ura↗
DOE OSTI2026

Pilot-Scale Modular Research Facility for Acidic Water Pollution Cleanup and Domestic Production of Critical Minerals for National Security

A recent study by Penn State researchers revealed that Pennsylvania AMD streams originate from abandoned mines, with coal refuse piles of the lower Kittanning coal seam containing the most valuable heavy rare earth elements. Penn State has developed a three-stage process to recover these critical minerals, tested it for proof of concept, and secured a patent. Funded by the US DOE, a modular pilot-scale research and development unit has been designed and built to process 1,000 gallons per day of AMD from a site managed by the Pennsylvania Department of Environmental Protection (PA DEP). The system will selectively recover iron, aluminum, rare earth elements, and cobalt-nickel-manganese concentrates from AMD, followed by a proprietary downstream purification process. These operations aim to produce concentrates of critical minerals while treating acid mine drainage to meet environmental standards and evaluate different feedstocks. This presentation will describe the design, operation, and innovations of the proposed process and pilot facility, emphasizing its role in promoting sustainable recovery of critical minerals from legacy waste streams.

Pisupati, Sarma V [Center for Critical Minerals, T↗
DOE OSTI2022

Controlling Mineralization with Protein–Functionalized Peptoid Nanotubes

Sequence-defined foldamers that self-assemble into well-defined architectures are promising scaffolds to template inorganic mineralization. However, it has been challenging to achieve robust control of nucleation and growth without sequence redesign or extensive experimentation. Here, peptoid nanotubes functionalized with a panel of solid-binding proteins are used to mineralize homogeneously distributed and monodisperse anatase nanocrystals from the water-soluble TiBALDH precursor. Crystallite size is systematically tuned between 1.4 and 4.4 nm by changing protein coverage and the identity and valency of the genetically engineered solid-binding segments. The approach is extended to the synthesis of gold nanoparticles and, using a protein encoding both material-binding specificities, to the fabrication of titania/gold nanocomposites capable of photocatalysis under visible-light illumination. Here, beyond uncovering critical roles for hierarchical organization and denticity on solid-binding protein mineralization outcomes, the strategy described herein should prove valuable for the fabrication of hierarchical hybrid materials incorporating a broad range of inorganic components.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A deep learning upscaling framework: Reactive transport and mineral precipitation in fracture-matrix systems

Pore-scale modeling has limited applicability at large scales due to its high computational cost. One common approach to upscale pore-scale models is the use of effective medium theories, which homogenize small-scale features in a porous structure and characterize the medium by macroscale properties (e.g., permeability) and equations (e.g., Darcy’s law). However, there are classes of physical processes for which effective medium approximations may become inaccurate, e.g., mineral precipitation and clogging during reactive transport. We have developed a deep learning upscaling framework, in which pore-scale modeling is directly employed in macroscale systems, without relying on effective medium approximations. The upscaling framework is first developed for general multiscale systems and then applied to modeling reactive transport with mineral precipitation in the altered layer in fracture-matrix structures. Solute transport from the fractures to the matrix is modeled as a wall boundary condition for the fractures, which, in turn, is predicted by recurrent neural networks using the concentration histories at the fracture-matrix boundary. Specifically, we consider a meter-scale fracture network embedded in sandstones, where the smallest feature is at the micron scale. Here the proposed framework allows us to span five orders of magnitude in length scales by capturing mineral precipitation in the altered layer of the rock matrix at the pore scale across the entire meter-scale fracture network.

42 ENGINEERING↗
DOE OSTI2024

Selenium interaction with iron minerals: Quantitative comparison of sorption and coprecipitation impacts on mobility

Given the significance of selenium (Se) as a micronutrient, the radioactive nature of some of its isotopes, and its affinity to iron (Fe) minerals, extensive research has been conducted on the sorption mechanisms between Se and these minerals. Here, in this study, we employ sorption data sourced from the L-SCIE database and coprecipitation data from available literature to achieve the following objectives: i) establish coherence between adsorption and coprecipitation processes, ii) quantitatively evaluate the importance of these processes in nuclear waste repository science, and iii) propose a forward-looking approach for integrating coprecipitation into reactive transport models. Our findings indicate that a correlation between Se adsorption and coprecipitation can be established using the λ formalism. The comparable log(λ Se(IV) /λ Se(VI) ) ratios derived from adsorption and coprecipitation experiments suggest that these processes can be quantitatively compared and evaluated using our numerical approach. Across all iron oxide phases examined, coprecipitation leads to significantly greater immobilization of Se compared to adsorption. Specifically, for hydrous ferric oxide, hematite, and goethite, coprecipitation is predicted to result in 100–1000 times more Se immobilization compared to adsorption, irrespective of the Se oxidation state (Se(IV) or Se(VI)); notably stronger immobilization potential via coprecipitation was observed for magnetite. The modeling approach and quantitative analysis presented herein clearly highlight the importance of including coprecipitation processes when simulating Se (and other elements) transport, particularly under conditions where mineral compositions are transient or evolving with time. Neglecting coprecipitation in models is likely to lead to significant overestimates of migration.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Micro- to nano-scale areal heterogeneity in pore structure and mineral compositions of a sub-decimeter-sized Eagle Ford Shale

Mineral and organic matter compositions & pore structures of fine-grained shale influence reservoir properties. To improve the understanding of spatial heterogeneity in core-sized samples, methods of microscale X-ray fluorescence (μXRF) mapping, (ultra-) small-angle x-ray scattering [(U)SAXS] and wide-angle X-ray scattering (WAXS) have been used to determine elemental, pore-structure variations at scales up to ~10 cm on two samples prepared at circular and rectangular orientations from a piece of Eagle Ford Shale outcrop in South Texas, USA. In addition, thin section petrography and field emission-scanning electron microscopy observations, X-ray diffraction (XRD), total organic carbon, and pyrolysis were utilized to investigate the potential spatial heterogeneity of pore types, mineral and organic matter compositions for cm-sized samples at both orientations. Overall, the siliceous-carbonate mineral contents in these two samples (8 cm×8 cm×0.08 cm and 5 cm × 8 cm × 0.08 cm, in terms of width×length×thickness) of carbonate-rich Eagle Ford Shale vary between laminations at mm scales. For the circular sample, porosity and specific surface area (SSA) variations range from 0.82 to 3.04% and 1.51 to 14.1 m 2 /g, respectively. For the rectangular sample, values for porosity and SSA vary from 0.93 to 2.50% and 3.95 to 10.8 m 2 /g. By analyzing six selected sub-samples on each of two samples with (U)SAXS and XRD techniques, nm-sized pores are mainly interparticle ones in the higher calcite regions, where the porosity is also relatively lower, while the lower calcite regions consist of both interparticle and intraparticle pore types with higher porosity. Lastly, the μXRF and (U)SAXS mappings are combined to generate porosity distribution maps to provide more insights about sample heterogeneity related to the laminations and fractures at our observational scales.

58 GEOSCIENCES↗
DOE OSTI2023

Synthesis of PHI-type zeolite harmotome using barium as an inorganic structure-directing agent inspired from natural mineral compositions

Zeolites are nanoporous aluminosilicates widely used as commercial adsorbents, heterogeneous catalysts, and ion-exchange materials due to their unique porosity, acidity, and thermal stability. The vast majority of synthetically-realized zeolite structures are prepared under hydrothermal conditions in alkaline media, and often in the presence of an organic structure-directing agent that facilitates the crystallization of diverse porous networks. Due to economic and environmental disadvantages of organic-based syntheses, it is often desirable to produce zeolites in organic-free media using alkali metal ions as the most commonly employed inorganic structure-directing agents (ISDAs). Here, in this study, we were inspired by the elemental compositions of natural zeolite minerals to examine the use of an alkaline earth metal ion as the ISDA to prepare zeolites with the PHI framework type. Two natural minerals exhibiting this crystal structure are phillipsite and harmotome. Both structures contain sodium and potassium as extra-framework cations, but only harmotome contains barium cations. Here we examined how the combination of alkali and alkaline earth ISDAs promote the formation of PHI-type zeolites. Our findings reveal that each isostructure is prepared under different synthesis conditions where simply adding barium to a growth mixture does not always lead to harmotome formation. Harmotome is formed in more dilute and alkaline growth media; however, time-resolved analyses of zeolite crystallization reveal that harmotome can be synthesized at low temperatures (ca. 65 °C) with rates that are 5-times faster than syntheses of phillipsite. This seemingly indicates that barium reduces the energetic barrier for PHI-type zeolite nucleation in ways that are not fully understood. Moreover, harmotome crystals exhibit an average particle size of ca. 60 nm, which is nearly 40-fold smaller than phillipsite crystals prepared under similar conditions. Collectively, these findings identify routes to control crystallization of PHI-type zeolites and may provide a broader strategy for using the composition of natural zeolite minerals to optimize the preparation of synthetic analogues.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Solution and Interface Structure and Dynamics in Geochemistry: Gateway to Link Elementary Processes to Mineral Nucleation and Growth

Our understanding of the process of mineral nucleation is starting to evolve from the solely thermodynamical aspects in classical nucleation theory toward a mechanistic study of reactions influenced by solvation structures of ions and their dynamics. A knowledge of how these atomic and molecular interactions respond to changing solution composition and/or the nature of an interface will form a fundamental foundation to understand rate-limiting reactions and processes for nucleation and growth. Here, we review recent advances from multidisciplinary experimental and computational approaches of the structure and dynamics of aqueous solutions and mineral–liquid interfaces that will influence rates of nucleation (and growth behavior) both homogeneously in aqueous solutions and heterogeneously at mineral–liquid interfaces. Furthermore, these processes include structure (and extent) of solute clustering, solvent degrees of freedom, and the presence of noninnocent charge-balancing ions, all of which can drive the selectivity and exert control over nucleation mechanisms. Similar controlling reactions can also occur at interfaces with the added complexities of how solute ions interact with and assemble on surface sites and use different mechanisms from bulk solutes, such as lateral solvent exchanges between distinct surface sites. To gain a predictive understanding of nucleation chemistry, we emphasize several key knowledge gaps that will need to be addressed in this field and highlight the importance of combining computations and experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Impact of Acid–Base Stimulation Sequence on Mineral Stability for Tight/Impermeable Unconventional Carbonate-Rich Rocks: A Delaware Basin Case Study

We report mineral precipitation due to reactions with injected fluids during unconventional fracture stimulation is a well-recognized problem. The goal of this study is to evaluate secondary mineral precipitation and permeability attenuation under chemical injection scenarios specific to the Delaware basin. Whole cylindrical cores (2.54 cm diameter and 2.54 cm height) and ground shale (150–250 μm) from the carbonate-rich Bone Spring Formation, Delaware Basin TX (Leonardian), were reacted at 80 °C and 85 bar using a hydraulic fracturing fluid (HFF) recipe and an injection sequence typical of the Delaware Basin. The reacted shales and solutions were analyzed using a variety of laboratory- and synchrotron-based techniques to characterize both the chemical and spatial distributions of secondary mineral precipitation and identify changes in permeability and mineralogy. This carbonate-rich shale (>84% calcite) rapidly neutralized the acidic HFF. Synchrotron-based X-ray fluorescence mapping coupled with X-ray absorption spectroscopy (both bulk and micro) showed that most of the iron was in an oxidized form prior to exposure to HFF and that almost all iron(II) became fully oxidized after the reaction. Scanning electron microscopy images of the ground shale samples primarily identified iron(oxyhydr)oxide microcrystals on grain surfaces. A few small isolated iron-rich areas also contained sulfur, suggesting that some pyrite was preserved when isolated within a calcite crystal but that most was oxidized. The rapid neutralization of the acid spearhead in these carbonate-rich samples demonstrates that the acid spearhead is useful for initiating fractures in extremely calcite-rich rocks but does little to enhance rock permeability. This suggests that the impact of the acid spearhead is significantly smaller for carbonate-rich shales compared to clay-rich shales, which has broad implications for acidizing in carbonate-rich shale formations and iron transformations within these shales.

58 GEOSCIENCES↗
DOE OSTI2025

Dithionite Inhibits Iron(III) (Hydr)oxide Formation during Olivine Dissolution Advancing Simultaneous CO 2 Mineralization and Nickel Recovery

Increasing CO 2 concentration poses significant global challenges, impacting both environmental and human health. As we strive for a carbon-neutral energy technology transition, the demand for critical elements (e.g., nickel and cobalt) continues to increase, while high-grade ores are depleting. Combining CO 2 mineralization with the recovery of critical elements from low-grade ores offers an innovative solution. Olivine, a magnesium-rich ultramafic with trace amounts of critical elements, is a promising mineral; however, its impurities, such as iron (Fe(III)), hinder the dissolution of Ni and Mg from olivine, reducing its carbonation and critical element recovery. Here, to address this challenge, this study examined Ni dissolution from San Carlos olivine at high temperatures and high CO 2 pressure. We found that iron(III) (hydr)oxide layers impeded olivine dissolution; however, with sodium dithionite (Na 2 S 2 O 4 ), a reducing agent, olivine dissolution is significantly improved by preventing iron(III) (hydr)oxide formation. With Na 2 S 2 O 4 , within 24 h, Mg and Ni dissolution from olivine increased 2.85-fold and 2.66-fold, respectively, compared to samples without Na 2 S 2 O 4 . After seven cycles, with solutions replaced every 24 h, 98.9% of the total Mg and 84.6% of the total Ni were recovered. This approach enhances olivine’s CO 2 mineralization and improves the sustainability of critical element supply.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Desorption of Phosphate from Iron-Bearing Soil Minerals by a Plant Secondary Metabolite

In soils, phosphorus readily adsorbs to the surfaces of ubiquitous iron (oxyhydr)oxide minerals, rendering it less accessible to plants and microorganisms. Plants have a number of strategies to access iron, among them the secretion of redox-active metabolites from their roots. Although these strategies likely increase the bioavailability of surface-adsorbed phosphorus through reductive dissolution, their effect on phosphorus cycling has not yet been investigated. We tested the ability of fraxetin, a coumarin-type redox-active metabolite produced by the model plant Arabidopsis thaliana and other dicotyledon plant species, to reductively solubilize phosphate from the surface of ferrihydrite. Our findings show that, at low and neutral pH, fraxetin increased aqueous phosphate concentrations under both oxic and anoxic conditions; at high pH, it was only effective in anoxic experiments. Additionally, a combination of liquid chromatography–mass spectrometry and spectroscopic methods demonstrated substantial fraxetin adsorption to the mineral surface but showed that iron reduction did not alter the mineral structure or change the nature of the chemical environment of the phosphorus atom over short time scales. These results provide evidence that the secretion of redox-active metabolites from roots is likely to be an effective phosphorus acquisition tactic in iron-rich soils.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Interfacial Hydrophilicity Controls Mineral Transformation Outcomes for Enstatite and Amorphous MgSiO 3

Subsurface injection of carbon dioxide (CO 2 ) into mafic-ultramafic rocks for permanent storage via mineralization is being studied to reduce emissions. Here, we investigated the carbonation products of enstatite (MgSiO 3 ) to assess its efficiency in sequestering CO 2 for safe and permanent storage as carbonate minerals. This was accomplished by conducting variable temperature carbonation reactions with samples of differing crystallinities and surface chemistries. Reaction progress was monitored utilizing in situ X-ray diffraction, and the presence of carbonate products was confirmed using additional techniques, such as thermogravimetric analysis coupled with mass spectrometry and scanning electron microscopy with energy dispersive spectrometry. Our results show that crystalline enstatite produces small amounts of the anhydrous form of MgCO 3 (magnesite), while amorphous MgSiO 3 , which was used to simulate mafic glass, more readily converts to the hydrated/hydroxylated hydromagnesite [Mg 5 (CO 3 ) 4 (OH) 2 ·4H 2 O]. These results, supplemented with dynamic vapor sorption experiments, suggest that surface properties play a significant role in the pathway and degree of carbonation. These developments concerning the reactivity of CO 2 with reactive mafic phases will help further our understanding of the reactivity of these mafic-ultramafic minerals with implications for permanent carbon storage and other subsurface engineering scenarios involving reactive reservoirs.

basalt↗
DOE OSTI2021

A Focused Ion Beam-Scanning Transmission Electron Microscopy with Energy-Dispersive X-ray Spectroscopy Study on Technetium Incorporation within Iron Oxides through Fe(OH) 2 (s) Mineral Transformation

Incorporation of Tc(IV) into iron oxide/hydroxide minerals has been explored and proposed as a promising pathway to preventing Tc(IV) reoxidation to environmentally mobile pertechnetate (TcO 4 - ) and improving long-term immobilization of radioactive technetium-99 (Tc). However, visual evidence evaluating the distribution of Tc(IV) incorporated within iron oxide/hydroxide phases has not been available, until now, despite potential implications on Tc(IV) stability within the host phase. For the purpose of this study Tc(IV) incorporation into iron oxide/hydroxide phases was facilitated via Fe(OH) 2 (s) oxidation and mineral transformation to magnetite (Fe 3 O 4 ). Focused ion beam - scanning transmission electron microscopy equipped with energy-dispersive X-ray spectroscopy (FIB/STEM-EDS) methods were then combined with X-ray diffraction and absorption spectroscopy techniques to characterize and visually demonstrate that, for the first time, Tc(IV) is heterogeneously incorporated into different iron oxide/hydroxide phases as Tc(IV)-incorporated magnetite and/or TcO 2 ·2H 2 O(s) via different incorporation mechanisms. Heterogeneous distribution of Tc(IV) in magnetite suggests either (i) TcO4- is reduced quickly at the magnetite surface and then encapsulated into magnetite during continued octahedral crystal growth, or (ii) Tc(IV) alternatively partitioned into multiple layers of a blocky, plate-like morphological magnetite structure showing stratified Tc. With limited Tc-hematite (Fe 2 O 3 ) incorporation, the results suggest that TcO 2 ·2H 2 O(s) is formed and mainly associated/embedded in fibrous nanometer-sized polycrystalline hematite. This work highlights the power of modern state-of-the-art FIB/STEM-EDS approach to provide essential visual insights of the Tc-iron oxide/hydroxide incorporation and generate reliable mechanism-informed designs for waste forms relying on Tc mineral incorporation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Chelation-Driven Chemistry Controls Dissolution Pathways for Facile Critical Mineral Recovery from Ultramafic Resources

The efficient recovery of critical minerals, such as nickel (Ni) and manganese (Mn) from the subsurface is of vital importance, given their role in modern technologies ranging from batteries to advanced alloys. This study explores an approach that employs chelation to enhance critical mineral recovery from ultramafic rocks using chelating ligands under ambient pressures and systematically evaluates the extraction process for the first time. Experimental results demonstrate the superior performance of EDTA and PrDTA in achieving high extraction efficiencies for both Ni and Mn. To further highlight the ability for optimization, the fluid exchange and variation of fluid-to-rock ratio experiments were conducted, revealing tunable controls for engineering recovery. We show that under optimized conditions, a Ni extraction efficiency of ?82% and a Mn extraction efficiency of ~60% is achieved at ambient pressures, which is equivalent to over 23 times the current global Ni production, and 2 million metric tonnes (MMT) greater than the current global Mn production. From both in-situ and ex-situ mining perspectives, the results highlight the potential of chelation to advance sustainable mineral processing. Overall, this work highlights the environmental benefits of innovative ligand-assisted recovery methods, addressing the critical need for the efficient utilization of olivine resources.

Krishnan, Keerthana↗
DOE OSTI2020

Rapid Mineral Precipitation During Shear Fracturing of Carbonate-Rich Shales

Target subsurface reservoirs for emerging low-carbon energy technologies and geologic carbon sequestration typically have low permeability and thus rely heavily on fluid transport through natural and induced fracture networks. Sustainable development of these systems requires deeper understanding of how geochemically mediated deformation impacts fracture microstructure and permeability evolution, particularly with respect to geochemical reactions between pore fluids and the host rock. Here, a series of triaxial direct shear experiments was designed to evaluate how fractures generated at subsurface conditions respond to penetration of reactive fluids with a focus on the role of mineral precipitation. Calcite-rich shale cores were directly sheared under 3.5 MPa confining pressure using BaCl 2 -rich solutions as a working fluid. Experiments were conducted within an X-ray computed tomography (xCT) scanner to capture 4-D evolution of fracture geometry and precipitate growth. Three shear tests evidenced nonuniform precipitation of barium carbonates (BaCO 3 ) along through-going fractures, where the extent of precipitation increased with increasing calcite content. Precipitates were strongly localized within fracture networks due to mineral, geochemical, and structural heterogeneities and generally concentrated in smaller apertures where rock:water ratios were highest. The combination of elevated fluid saturation and reactive surface area created in freshly activated fractures drove near-immediate mineral precipitation that led to an 80% permeability reduction and significant flow obstruction in the most reactive core. While most previous studies have focused on mixing-induced precipitation, this work demonstrates that fluid–rock interactions can trigger precipitation-induced permeability alterations that can initiate or mitigate risks associated with subsurface energy systems.

58 GEOSCIENCES↗
DOE OSTI2025

Dust Direct Radiative Effect Including Large Particles and Component Minerals

The direct radiative effect (DRE) of dust aerosols in Earth system models (ESMs) remains highly uncertain, largely due to inadequate representations of particle size distribution (PSD) and mineral composition. Using NASA's Earth Surface Mineral Dust Source Investigation (EMIT) soil mineralogy data and observed PSD in an ESM that resolves dust mineral composition and emitted diameters from 0.1 to 70 μm, we find a near-neutral global dust net DRE (−0.057 W m −2 ), weaker than most previous estimates. Large dust (diameter >10 μm) contributes 30% of the global longwave dust optical depth, providing observational constraints on large-particle abundance, and offsets 20% of the dust shortwave cooling over major source regions. Incorporation of EMIT mineralogy reduces shortwave uncertainty by more than 50%. The remaining uncertainty mainly exists in processes controlling dust abundance, particularly the poorly understood transport of large dust, and longwave optical properties, which require additional observational constraints to more accurately quantify the dust DRE.

Li, Longlei [Cornell Univ., Ithaca, NY (United Sta↗
DOE OSTI2023

Bioinspired mechanical mineralization of organogels

Mineralization is a long-lasting method commonly used by biological materials to selectively strengthen in response to site specific mechanical stress. Achieving a similar form of toughening in synthetic polymer composites remains challenging. In previous work, we developed methods to promote chemical reactions via the piezoelectrochemical effect with mechanical responses of inorganic, ZnO nanoparticles. Herein, we report a distinct example of a mechanically-mediated reaction in which the spherical ZnO nanoparticles react themselves leading to the formation of microrods composed of a Zn/S mineral inside an organogel. The microrods can be used to selectively create mineral deposits within the material resulting in the strengthening of the overall resulting composite.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Micro-continuum approach for mineral precipitation

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 (BaSO 4 ) 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.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗