Dissolution rate variability at carbonate surfaces: 4D X-ray micro-tomography and stochastic modeling investigations

Guren, Marthe Grønlie; Renard, F.; Noiriel, Catherine

doi:10.3389/frwa.2023.1185608

Cited by 6 publications

(4 citation statements)

References 69 publications

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“…Threedimensional laser scanning has no contact with the specimen and is high-precision, which can accurately obtain accurate data on the surface corrosion morphology of the specimen. Three-dimensional laser scanning is widely used to provide the information about the surface morphology of exposed carbonate rocks [73][74][75][76], which can help to study the changes in porosity of rocks after dissolution [77] and can provide information about the dissolution rate and geometric evolution characteristics [78]. On this basis, 4D tomography has begun to be used to study the process of dissolution [79].…”

Section: Microscopic Methodsmentioning

confidence: 99%

Advances in the Experiments of Leaching in Cement-Based Materials and Dissolution in Rocks

Zheng,

Wang,

et al. 2023

Materials

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Leaching in cement-based materials and dissolution in rocks are important problems in civil engineering. In the past century, concrete damage caused by leaching have occurred worldwide. And, rock dissolution is usually the main cause of karst rock erosions. This paper provides a review of the causes, influencing factors, and effects on engineering properties of dissolution of rocks and leaching of cement-based materials. The applied experimental methods for leaching and dissolution have been sorted out and discussed. In situ field experiments can be used to study dissolution under natural conditions, while the laboratory experiments can effectively shorten the experiment time length (by changing pH, temperature, pressure or other factors that affect the leaching or dissolution) to quickly investigate the mechanism of dissolution and leaching. Micro tests including XRD, SEM, EDS, and other testing methods can obtain the changes in material properties and microstructures under leaching and dissolution. In addition, with the advances in technologies and updated instruments, more and more new testing methods are being used. The factors affecting the leaching and dissolution include environmental factors, materials, and solvent parameters. The mechanisms and deterioration processes of leaching and dissolution varies according to the types of material and the compositions.

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Section: Microscopic Methodsmentioning

confidence: 99%

Advances in the Experiments of Leaching in Cement-Based Materials and Dissolution in Rocks

Zheng,

Wang,

et al. 2023

Materials

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“…Both cases are common on dissolving surfaces especially for calcite which bonding topology is the same as for Kossel crystal. Formation of large pits around pit's clusters is commonly observed, e.g., in studies by Callagon et al (2014), Noiriel et al (2020), and Guren et al (2023, as well as etch pit morphologies controlled by many pits, e.g., in Arvidson et al (2003), Fischer et al (2012), and Brand et al (2017. If these two contrasting cases indeed result in different, but reproducible rate distributions in one case, and a finite set of reproducible distributions in the other, the issue of defect density and location becomes indeed solvable in the statistical sense.…”

Section: Comparison To Experimental Datamentioning

confidence: 98%

“…The first aspect is stability of measured rate distributions over time for single crystals where dissolution is controlled by etch pits (Brand et al, 2017;Bibi et al, 2018;Noiriel et al, 2018;Guren et al, 2023). On contrast, calcite with micritic or poly-grain structures showed distributions changing in time (Bollermann and Fischer, 2020;Guren et al, 2023). Limited time of experiments 2023) for pH 4.…”

Section: Comparison To Experimental Datamentioning

confidence: 99%

Probability distributions of mineral dissolution rates: the role of lattice defects

Kurganskaya,

Luttge

2023

Front. Water

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The correct quantification of mineral dissolution rates is a critical task for macroscopic reactive transport modeling. Previous studies showed a substantial rate variability of about two orders of magnitude, which cannot be explained by variance of external environmental parameters alone. If the rate cannot be predicted as a constant parameter, then the critical question is whether it can be predicted as a stable reproducible probability distribution. Although a large variety of factors may contribute to the overall variance across the scales, the effect of defect density and defect spatial distribution can be considered as one of the key variance sources. Here, we tested the reproducibility of probability distributions for Kossel crystals with a different amount and spatial configurations of lattice dislocations. We ran several tests on systems with the same configurations and calculated the probabilities of material flux. Surprisingly, we discovered that the density of dislocations has minimal impact on the probability distributions. However, the spatial location of dislocations has a substantial influence on the rate distributions reproducibility. In cases where multiple etch pits operate simultaneously, reproducible rate distributions are found regardless of the number of dislocations. In cases where dislocations formed clusters, one large etch pit controlled the entire surface, and sets of reproducible probability distributions were detected. Then, more complex statistical behavior is expected, since the result is path-dependent. These results have serious consequences for the implementation of rate distributions in reactive transport models. Further studies, however, are needed to provide clear guidance on relating surface morphologies, dislocation distributions, and dissolution rate variance. The role of material-specific properties, such as crystallographic structure and bonding, in rate distributions, should be additionally addressed. The role of grain boundaries, crystal size and crystal habit, including nanoparticulate forms, in rate variance, also should be addressed for practical applications.

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“…Guren et al 97 illustrate how to derive a set of dissolution rate probabilities from Kinetic Monte Carlo simulations and then how to use them as input into the macroscopic stochastic model. The result of this rigorous procedure is an accurate representation of mineral dissolution that takes place at different surfaces and surface sites of the same material.…”

Section: The Way Forward: Towards Predicting and Controlling Interfac...mentioning

confidence: 99%

Bridging molecular-scale interfacial science with continuum-scale models

Ilgen,

Borguet,

Geiger

et al. 2024

Nat Commun

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Solid–water interfaces are crucial for clean water, conventional and renewable energy, and effective nuclear waste management. However, reflecting the complexity of reactive interfaces in continuum-scale models is a challenge, leading to oversimplified representations that often fail to predict real-world behavior. This is because these models use fixed parameters derived by averaging across a wide physicochemical range observed at the molecular scale. Recent studies have revealed the stochastic nature of molecular-level surface sites that define a variety of reaction mechanisms, rates, and products even across a single surface. To bridge the molecular knowledge and predictive continuum-scale models, we propose to represent surface properties with probability distributions rather than with discrete constant values derived by averaging across a heterogeneous surface. This conceptual shift in continuum-scale modeling requires exponentially rising computational power. By incorporating our molecular-scale understanding of solid–water interfaces into continuum-scale models we can pave the way for next generation critical technologies and novel environmental solutions.

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Dissolution rate variability at carbonate surfaces: 4D X-ray micro-tomography and stochastic modeling investigations

Cited by 6 publications

References 69 publications

Advances in the Experiments of Leaching in Cement-Based Materials and Dissolution in Rocks

Advances in the Experiments of Leaching in Cement-Based Materials and Dissolution in Rocks

Probability distributions of mineral dissolution rates: the role of lattice defects

Bridging molecular-scale interfacial science with continuum-scale models

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