[HTML][HTML] Molecular modeling of clay minerals: A thirty-year journey and future perspectives

A Zhou, J Du, A Zaoui, W Sekkal, M Sahimi - Coordination Chemistry …, 2025 - Elsevier
The growing demand for a deeper understanding and improved utilization of clay minerals
has raised a pressing need for a comprehensive review of the latest advancements and …

A perspective on the potential application of bio-inhibitors for shale stabilization during drilling and hydraulic fracturing processes

AK Quainoo, BM Negash, CB Bavoh, TO Ganat… - Journal of Natural Gas …, 2020 - Elsevier
This work presents a comprehensive review on the use of bio-inhibitors for stabilizing gas/oil
shales during drilling and hydraulic fracturing. The swelling and dispersion inhibiting …

Effect of interlayer cations on montmorillonite swelling: Comparison between molecular dynamic simulations and experiments

K Yotsuji, Y Tachi, H Sakuma, K Kawamura - Applied Clay Science, 2021 - Elsevier
The understanding of the swelling phenomenon of montmorillonite is essential to predict the
physical and chemical behavior of clay-based barriers in geoenvironmental engineering …

Revealing crucial effects of temperature and salinization on swelling behavior of montmorillonite

J Du, A Zhou, SL Shen, X Lin, Y Bu… - Chemical Engineering …, 2022 - Elsevier
Thermal and saline environment significantly affects the swelling behavior of montmorillonite
(Mt) that is crucial for the safety of engineering barrier. However, the swelling mechanism of …

Revealing expansion mechanism of cement-stabilized expansive soil with different interlayer cations through molecular dynamics simulations

J Du, A Zhou, X Lin, Y Bu… - The Journal of Physical …, 2020 - ACS Publications
Expansion of clay minerals in expansive soil, such as montmorillonite (MMT), is critical to a
broad class of problems in science and engineering. Cement is one of the most widely used …

Prediction of swelling pressure of expansive soil using an improved molecular dynamics approach combining diffuse double layer theory

J Du, A Zhou, X Lin, Y Bu, J Kodikara - Applied Clay Science, 2021 - Elsevier
Swelling pressure of expansive soil is a fundamental parameter in the prediction of
expansive soil behavior and also an essential quality indicator for geotechnical structure …

Reducing susceptibility to moisture damage in asphalt pavements using polyethylene terephthalate and sodium montmorillonite clay

D Oldham, R Mallick, EH Fini - Construction and Building Materials, 2021 - Elsevier
This study examines the feasibility of develo** built-in resistance against moisture
damage using either passivation or an arresting mechanism. A specific moisture-susceptible …

Green Synthesized Montmorillonite/Carrageenan/Fe3O4 Nanocomposites for pH-Responsive Release of Protocatechuic Acid and Its Anticancer Activity

YP Yew, K Shameli, SE Mohamad, KX Lee… - International Journal of …, 2020 - mdpi.com
Discovery of a novel anticancer drug delivery agent is important to replace conventional
cancer therapies which are often accompanied by undesired side effects. This study …

Interaction between hydrated smectite clay particles as a function of salinity (0–1 M) and Counterion type (Na, K, Ca)

X Shen, IC Bourg - The Journal of Physical Chemistry C, 2022 - ACS Publications
Swelling clay minerals control the hydrologic and mechanical properties of many soils,
sediments, and sedimentary rocks. This important and well-known phenomenon remains …

Development of high ion-selective montmorillonite-incorporated polyethersulfone nanocomposite membranes for salinity gradient energy harvesting

RI Gaber, S Hong, JK Ali, MA Abdulhamid… - Chemical Engineering …, 2025 - Elsevier
Highly efficient ion-selective membranes hold promise for diverse applications, including
energy harvesting. However, achieving optimal selectivity and cost-effectiveness remains a …