Nanomechanical-atomistic insights on interface interactions in asphalt mixtures with various chloride ion erosion statuses

Z Long, L You, F Xu, X Tang, Y Ding, A Khanal… - Journal of Colloid and …, 2022 - Elsevier
Coastal asphalt pavements are highly susceptible to sea salt erosion, which leads to a
significant decrease in road performance and durability. However, the interface micro …

Influence of sea salt on the interfacial adhesion of bitumen–aggregate systems by molecular dynamics simulation

Z Long, X Tang, Y Ding, M Miljković, A Khanal… - … and Building Materials, 2022 - Elsevier
This research investigated the influence of sea salt on the adhesion properties of bitumen–
aggregate systems by molecular dynamics simulations in order to fundamentally understand …

[HTML][HTML] Effect of H2S content on relative permeability and capillary pressure characteristics of acid gas/brine/rock systems: A review

X Zhang, Q Li, M Simon, G Zheng, Y Tan - Journal of Rock Mechanics and …, 2022 - Elsevier
Geological storage of acid gas has been identified as a promising approach to reduce
atmospheric carbon dioxide (CO 2), hydrogen sulfide (H 2 S) and alleviate public concern …

Effect of wettability of shale on CO2 sequestration with enhanced gas recovery in shale reservoir: Implications from molecular dynamics simulation

K Shi, J Chen, X Pang, F Jiang, S Hui, H Pang… - Journal of Natural Gas …, 2022 - Elsevier
The wettability of rock affects the interaction between CO 2, brine, and shale formation,
which affects CO 2 sequestration with enhanced gas recovery (CS–EGR) project. However …

Experimental measurements and characterization models of caprock breakthrough pressure for CO2 geological storage

B Chen, Q Li, Y Tan, T Yu, X Li, X Li - Earth-Science Reviews, 2024 - Elsevier
Caprock plays a critical role in the long-term safety of CO 2 geological storage, and
breakthrough pressure serves as a key indicator for evaluating caprock sealing. The …

Study on the cracking mechanism of strongly weathered purple mudstone under wetting and drying effect through experiments and molecular dynamics simulation

Z Zhang, W Cui, Z Liu, W Liu, B Xi, M Chen - Construction and Building …, 2023 - Elsevier
This study aims to investigate the cracking mechanism of strongly weathered purple
mudstone (SWPM) samples in Three Gorges Reservoir (TGR) drawdown area, China under …

Synergistic effects of CO2 density and salinity on the wetting behavior of formation water on sandstone surfaces: Molecular dynamics simulation

T Yu, Q Li, X Li, H Hu, Y Tan, L Xu - Journal of Natural Gas Science and …, 2022 - Elsevier
Reservoir wettability is very important to predict the structure and residual capture capacity,
potential CO 2 leakage accidents and improve the risk assessment and sequestration safety …

Interfacial properties of the hexane+ carbon dioxide+ brine system in the presence of hydrophilic silica

R Cui, AK Narayanan Nair… - Industrial & …, 2023 - ACS Publications
Molecular dynamics simulations were performed to understand the interfacial properties of
brine (up to 5.4 mol/kg NaCl) and brine+ silica systems in the presence of CO2, hexane, and …

[HTML][HTML] Multiscale evolution mechanism of sandstone under wet-dry cycles of deionized water: From molecular scale to macroscopic scale

J Meng, C Li, JQ Zhou, Z Zhang, S Yan, Y Zhang… - Journal of Rock …, 2023 - Elsevier
Water is the most abundant molecule found on the earth's surface and is a key factor in
multiscale rock destruction. However, given the fine-grained nature of rock and the …

Molecular dynamics simulation of CO2-N2 dissolution and stripping of oil films on pore walls based on intermolecular interaction energy

T Yu, Q Li, Y Tan, L Xu - Chemical Engineering Science, 2022 - Elsevier
The interaction between crude oil and pore surfaces is notable in the process of CO 2 and N
2 flooding, and some crude oil can hardly be displaced and remains on pore walls in the …