A comprehensive review on molecular dynamics simulation studies of phenomena and characteristics associated with clathrate hydrates

S Sinehbaghizadeh, A Saptoro, S Amjad-Iranagh… - Fuel, 2023 - Elsevier
Clathrate hydrates or gas hydrates have received worldwide attention due to their potential
to be utilized in various sustainable technologies. The hydrate-based industrial applications …

A review on high-density methane storage in confined nanospace by adsorption-hydration hybrid technology

Z Wang, J Duan, S Chen, Y Fu, X Li, D Wang… - Journal of Energy …, 2022 - Elsevier
The technology of methane storage by the adsorption-hydration hybrid (AHH) combines the
adsorbed natural gas (ANG) and natural gas hydrate (NGH) methods to store gas in porous …

Effects of depressurization on gas production and water performance from excess-gas and excess-water methane hydrate accumulations

L Zhang, H Dong, S Dai, Y Kuang, L Yang… - Chemical Engineering …, 2022 - Elsevier
Depressurization is considered as the most promising technique for hydrate exploitation, as
it achieves the highest energy profit ratio and is the most technologically feasible. However …

Molecular insights into CO2 hydrate formation in the presence of hydrophilic and hydrophobic solid surfaces

Z He, F Mi, F Ning - Energy, 2021 - Elsevier
Microsecond molecular simulations have been performed on CO 2 hydrate formation in the
slit-nanopores of graphite and hydroxylated-silica surfaces. The simulation results show that …

Effect of Glucose on CH4 Hydrate Formation in Clay Nanopores and Bulk Solution: Insights from Microsecond Molecular Dynamics Simulations

F Mi, Z He, G Jiang, F Ning - ACS Sustainable Chemistry & …, 2024 - ACS Publications
A microscopic insight into the formation and growth of CH4 hydrate in glucose solution is
vital to understand the accumulation of natural gas hydrate resources and develop hydrate …

Methane hydrate formation in the stacking of kaolinite particles with different surface contacts as nanoreactors: A molecular dynamics simulation study

Y Li, M Chen, H Song, P Yuan, D Liu, B Zhang… - Applied Clay Science, 2020 - Elsevier
The heterogeneous nucleation behaviors of methane (CH 4) hydrate in the presence of
kaolinite (Kaol) were studied, and nucleation was found to be strongly affected by the …

Molecular insights into the effects of lignin on methane hydrate formation in clay nanopores

M Fengyi, H Zhongjin, J Guosheng, N Fulong - Energy, 2023 - Elsevier
The formation behavior of CH 4 hydrates in marine sediments is inevitably affected by lignin
molecules, but the exact molecular mechanism remains unclear. Herein, microsecond …

Molecular dynamics simulation on methane hydrate formation in clay nanopores of edge surfaces

F Mi, Z He, L Cheng, G Jiang, F Ning - Applied Clay Science, 2023 - Elsevier
Natural gas hydrates are predominantly buried in clay sediments in natural environments,
where are some edge surfaces of clay particles directly contacting the hydrates. However …

A review of clathrate hydrate nucleation, growth and decomposition studied using molecular dynamics simulation

S Das, KM Tadepalli, S Roy, R Kumar - Journal of Molecular Liquids, 2022 - Elsevier
Clathrate hydrates have a variety of applications ranging from natural gas storage, carbon
dioxide sequestration, sea water desalination, gas separation etc. But the applications have …

Effects of layer-charge distribution of 2: 1 clay minerals on methane hydrate formation: a molecular dynamics simulation study

Y Li, M Chen, C Liu, H Song, P Yuan, B Zhang, D Liu… - Langmuir, 2020 - ACS Publications
Molecular dynamics simulations were used to investigate the effects of the external surface
of a 2: 1 clay mineral with different charge amounts and charge locations on CH4 hydrate …