Molecular dynamics simulation of hydrogen diffusion in water-saturated clay minerals; implications for Underground Hydrogen Storage (UHS)

M Ghasemi, S Omrani, S Mahmoodpour… - International Journal of …, 2022 - Elsevier
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 …

Enhanced performance on CO2 adsorption and release induced by structural transition that occurred in TBAB· 26H2O hydrates

X Zhou, D Liang - Chemical Engineering Journal, 2019 - Elsevier
The applications of ionic clathrate hydrates have greatly improved the efficiency and the
conditions required for hydrate-based CO 2 capture, but high energy input for hydrate …

Application of molecular dynamics simulations in interface interaction of clay: Current status and perspectives

J Chen, X Chu, Y Cheng, Q Shu, Y Ling… - Asia‐Pacific Journal …, 2023 - Wiley Online Library
To understand the research progress of molecular dynamics (MD) method in the field of clay
minerals, the application of MD in the interface interaction of clay minerals is reviewed in this …

Pore‐scale study of water adsorption and subsequent methane transport in clay in the presence of wettability heterogeneity

R Xu, M Prodanović, C Landry - Water Resources Research, 2020 - Wiley Online Library
Clay minerals are abundant in shale, characterized by a lamellar structure and dimensions
smaller than a micron, giving rise to nanometer‐scale pore sizes and large specific surface …

Structural evolution in micro-calcite bearing Ca-montmorillonite reinforced oilwell cement during CO2 invasion

K Mei, L Zhang, Y Wang, X Cheng, Q Xue… - … and Building Materials, 2022 - Elsevier
High concentration CO 2 invades and forms carbonate layers in oilwell cement under
geological CO 2 sequestration conditions. Long-term invasion of CO 2 makes the …

Capturing carbon dioxide on the wet SBA-15 mesoporous molecular sieves with different surfactants

X Liu, X Cui, Y Wang, S Zhu, J Cao… - Journal of Chemical & …, 2020 - ACS Publications
SBA-15 mesoporous molecular sieves were used as the adsorption medium to capture
carbon dioxide by the gas hydrate method. First, it is confirmed that the synthesized SBA-15 …

Molecular simulation of adsorption behaviors of methane and carbon dioxide on typical clay minerals

D Hui, L Li, Y Zhang, X Peng, T Li, C Jia… - Frontiers in Energy …, 2023 - frontiersin.org
Knowledge of the interaction mechanisms between shale and CH4/CO2 is crucial for the
implementation of CO2 sequestration with enhanced CH4 recovery (CS-EGR) in shale …

Role of particle gradation of clay–sand mixtures on the interfacial adhesion performance of polymer coatings

N Murali, J Li, A Agarwal, P Berthault, P Ghosh - Clay Minerals, 2024 - cambridge.org
The interface performance between clay–sand mixtures and concrete structures is governed
by the mixture's composition and its physical properties. Moisture content and particle-size …

Role of Cations in Adsorption of Supercritical Carbon Dioxide at Smectite Mineral–Water Interfaces: Molecular Dynamics and Adaptive Biasing Force Simulation …

M Maruthi Sena, M Krishnan - The Journal of Physical Chemistry …, 2018 - ACS Publications
The microscopic understanding of uptake and retention of supercritical carbon dioxide by
expandable layered aluminosilicate minerals is of central importance for large-scale …

[图书][B] Pore scale study of gas sorption and transport in shale nanopore systems

R Xu - 2019 - search.proquest.com
Shale gas production accounts for about 70% of the total natural gas production in the US.
Yet it remains a nontrivial task to characterize the petrophysical properties of shale core …