Molecular dynamics simulation of hydrogen diffusion in water-saturated clay minerals; implications for Underground Hydrogen Storage (UHS)
A suitable option for Underground Hydrogen Storage (UHS) is aquifers composed of porous
and permeable media. However, the successful execution and long-term safety of the UHS …
and permeable media. However, the successful execution and long-term safety of the UHS …
A review of the migration of radioactive elements in clay minerals in the context of nuclear waste storage
C Wang, VF Myshkin, VA Khan… - Journal of Radioanalytical …, 2022 - Springer
Clay is a widespread natural mineral. The review considers physical and chemical
properties of clay minerals which are important in terms of geological high-level radioactive …
properties of clay minerals which are important in terms of geological high-level radioactive …
Acid–base properties of cis-vacant montmorillonite edge surfaces: A combined first-principles molecular dynamics and surface complexation modeling approach
P Gao, X Liu, Z Guo, C Tournassat - Environmental science & …, 2023 - ACS Publications
Montmorillonite layer edge surfaces have pH-dependent properties, which arises from the
acid–base reactivity of their surface functional groups. Edge surface acidity (with intrinsic …
acid–base reactivity of their surface functional groups. Edge surface acidity (with intrinsic …
Ion complexation waves emerge at the curved interfaces of layered minerals
Visualizing hydrated interfaces is of widespread interest across the physical sciences and is
a particularly acute need for layered minerals, whose properties are governed by the …
a particularly acute need for layered minerals, whose properties are governed by the …
Review on the effect of isomorphic replacement on the structure and application performance of typical clay minerals
R Huang, L Wu, X Wang, N Tang, L Gao… - Progress in Natural …, 2024 - Elsevier
Clay minerals represent a class of hydrated phyllosilicates making up the fine-grained
portions of rocks, sediments, and soils. Due to the advantages of abundant reserves, low …
portions of rocks, sediments, and soils. Due to the advantages of abundant reserves, low …
Interaction between hydrated smectite clay particles as a function of salinity (0–1 M) and Counterion type (Na, K, Ca)
Swelling clay minerals control the hydrologic and mechanical properties of many soils,
sediments, and sedimentary rocks. This important and well-known phenomenon remains …
sediments, and sedimentary rocks. This important and well-known phenomenon remains …
Coupling between clay swelling/collapse and cationic partition
The semipermeability of clay aggregates in mudstones, shales, and marine sediments gives
rise to geological ultrafiltration of ions and water. This behavior has been numerically …
rise to geological ultrafiltration of ions and water. This behavior has been numerically …
Cation hydration by confined water and framework-atoms have crucial role on thermodynamics of clay swell ing
The swelling capacity and stability of clay play a crucial role in various areas ranging from
cosmetics to oil extraction; hence change in their swelling behaviour after cation exchange …
cosmetics to oil extraction; hence change in their swelling behaviour after cation exchange …
Contribution of atomistic study to better understand water saturation effect on mechanical behavior of clayey rocks in triaxial compression
The mechanical behavior of clayey rocks is generally sensitive to water saturation degree,
mainly due to the high content of swelling clay minerals. In this study, the mechanical …
mainly due to the high content of swelling clay minerals. In this study, the mechanical …
Structure of bound water layer on montmorillonite surface: The role of trans-and cis-vacant sites
A Kasprzhitskii, A Kruglikov, Y Ermolov, V Yavna… - Applied Surface …, 2024 - Elsevier
Bound water on the surface of clay minerals determines the nature of a wide class of
phenomena, from the diffusion of interlayer cations to synthesizing prebiotic …
phenomena, from the diffusion of interlayer cations to synthesizing prebiotic …