[HTML][HTML] Molecular dynamics simulations in hydrogel research and its applications in energy utilization: A review
L Li, Z Liu, R Qi - Energy Reviews, 2024 - Elsevier
Hydrogels are soft, highly absorbent and water-retaining polymers that are widely used in
energy utilization. Molecular dynamics (MD) simulation is powerful in exploring micro/nano …
energy utilization. Molecular dynamics (MD) simulation is powerful in exploring micro/nano …
Effect of material surface on the formation and dissociation of gas hydrate in restricted space between two parallel substrates
Visual observations of the formation and dissociation of gas hydrate are conducted when
reacting CH 4-C 2 H 6 gas with a water droplet in restricted space between a silicon wafer …
reacting CH 4-C 2 H 6 gas with a water droplet in restricted space between a silicon wafer …
Bubble Evolution and Its Effects on Methane Hydrate Formation in a Restricted Space
Based on the in situ observation of methane hydrate formation in restricted spaces by
confocal Raman imaging microscopy, a bubble intrusion mechanism is proposed. Hydrates …
confocal Raman imaging microscopy, a bubble intrusion mechanism is proposed. Hydrates …
Topological isomerism governs asphaltene aggregation: A mechanistic study combining molecular dynamics and experiments
C Wang, P Liu, J Zhao, J Hu, J Du, X Chen, X Song… - Fuel, 2025 - Elsevier
The aggregation and deposition of asphaltene pose significant challenges to efficient oil
production. However, the application of molecular dynamics (MD) simulations for …
production. However, the application of molecular dynamics (MD) simulations for …
Topological isomerism design of Demulsifiers: A fusion of molecular dynamics simulation and experiment
Demulsifiers are crucial for enhancing crude oil extraction and transportation efficiency by
facilitating the separation of oil–water emulsions. However, research conducted on the …
facilitating the separation of oil–water emulsions. However, research conducted on the …
Molecular insights into the effect of nitrogen bubbles on the formation of tetrahydrofuran hydrates
X Huang, Z Li, L Zhang, J He, H Lu - Molecules, 2022 - mdpi.com
In this work, a molecular dynamics simulation was conducted to study the microscopic
mechanism of how nitrogen bubbles affect the formation of THF hydrates at the molecular …
mechanism of how nitrogen bubbles affect the formation of THF hydrates at the molecular …
Molecular Insights into Factors Affecting the Generation Behaviors, Dynamic Properties, and Interfacial Structures of Methane Gas Bubbles
Molecular dynamics simulations were performed to study the effects of temperatures,
pressures, and methane mole fractions on the generation behaviors, dynamic properties …
pressures, and methane mole fractions on the generation behaviors, dynamic properties …