The traditional model of solid dissolution in porous media consists of three dissolution regimes (uniform, compact, wormhole)-or patterns-that are established depending on the relative dominance of reaction rate, flow, and diffusion. In this work, we investigate the evolution of pore structure using numerical simulations during acid injection on two models of increasing complexity. We investigate the boundaries between dissolution regimes and characterize the existence of a fourth dissolution regime called channeling, where initially fast flow pathways are preferentially widened by dissolution. Channeling occurs in cases where the distribution in pore throat size results in orders of magnitude differences in flow rate for different flow pathways. This focusing of dissolution along only dominant flow paths induces an immediate, large change in permeability with a comparatively small change in porosity, resulting in a porosity-permeability relationship unlike any that has been previously seen. This work suggests that the traditional conceptual model of dissolution regimes must be updated to incorporate the channeling regime for reliable forecasting of dissolution in applications like geothermal energy production and geologic carbon storage.
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http://dx.doi.org/10.1038/s41598-023-37725-6 | DOI Listing |
Nat Commun
January 2025
Materials Science Division, Lawrence Livermore National Laboratory, Livermore, CA, USA.
Aqueous corrosion of metals is governed by formation and dissolution of a passivating, multi-component surface oxide. Unfortunately, a detailed atomistic description is challenging due to the compositional complexity and the need to consider multiple kinetic factors simultaneously. To this end, we combine experiments with a first-principles-derived, multiscale computational framework that transcends thermodynamic descriptions to explicitly simulate the kinetic evolution of surface oxides of Ni-Cr alloys as a function of composition, temperature, pH, and applied voltage.
View Article and Find Full Text PDFRSC Adv
December 2024
College of Materials and Chemical Engineering, Anhui Jianzhu University Hefei 230601 China
Biomacromolecules
December 2024
Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, 6523 AJ Nijmegen, The Netherlands.
Materials (Basel)
November 2024
Industrial Electromechanics Area, Technological University of Tulancingo, Tulancingo 43642, Mexico.
In this work, a kinetic study and modeling of the decomposition of a rock sample in an ascorbic acid medium with a high content of lepidolite phase were carried out, the results of which are of great importance due to the sample's high lithium (Li) content. The rock sample was characterized by X-ray diffraction (XRD), inductively coupled plasma atomic emission spectroscopy (ICP-AES) and X-ray photoelectron spectroscopy (XPS), and the mineral species detected in the sample were lepidolite, at 65.3%, quartz, at 30.
View Article and Find Full Text PDFSmall
November 2024
Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory, Pune, Maharashtra, 411008, India.
One of the key intricacies against using Prussian blue analogues (PBAs) in aqueous batteries is their gradual dissolution in aqueous electrolytes, resulting in inadequate cycling stability. Besides, the rate capability of PBAs is limited due to their poor electrical conductivity. To overcome these challenges, it is essential to tune the physical and chemical properties of PBAs at the nano regime without affecting the inherent charge storage properties, especially at high-voltage operating conditions.
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