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 …

GenIce: hydrogen‐disordered ice generator

M Matsumoto, T Yagasaki, H Tanaka - 2018 - Wiley Online Library
GenIce is an efficient and user‐friendly tool to generate hydrogen‐disordered ice structures.
It makes ice and clathrate hydrate structures in various file formats. More than 100 kinds of …

[HTML][HTML] Molecular simulation studies on natural gas hydrates nucleation and growth: A review

Z Zhang, N Wu, C Liu, X Hao, Y Zhang, K Gao, B Peng… - China Geology, 2022 - Elsevier
How natural gas hydrates nucleate and grow is a crucial scientific question. The research on
it will help solve practical problems encountered in hydrate accumulation, development, and …

Molecular mechanisms by which tetrahydrofuran affects CO2 hydrate Growth: Implications for carbon storage

A Phan, H Schlösser, A Striolo - Chemical Engineering Journal, 2021 - Elsevier
Gas hydrates have attracted significant fundamental and applied interests due to their
important role in various technological and environmental processes. More recently, gas …

Insights into the mechanical stability of tetrahydrofuran hydrates from experimental, machine learning, and molecular dynamics perspectives

Y Lin, Z Zhou, Z Song, Q Shi, Y Hao, Y Fu, T Li… - Nanoscale, 2024 - pubs.rsc.org
Natural gas hydrates (NGHs) hold immense potential as a future energy resource and for
sustainable applications such as gas capture and storage. Due to the challenging formation …

Chemical Promoter Performance for CO2 Hydrate Growth: A Molecular Perspective

A Phan, A Striolo - Energy & fuels, 2023 - ACS Publications
Carbon dioxide (CO2) hydrates, which contain a relatively large amount of captured CO2
(almost 30 wt% of CO2 with the balance being water), represent a promising CO2 …

Insights into the synergistic effect of polylactam kinetic hydrate inhibitor and amino acid via molecular dynamics simulations

Q Zhang, Y Tan, Z Li, D Liang, Z Long, X Liu, X Chen… - Energy, 2024 - Elsevier
Technological innovation is urgently needed to solve the problem of hydrate formation in oil
and gas transmission pipelines for the flow assurance guarantee. Typical kinetic hydrate …

Adsorption of kinetic hydrate inhibitors on growing surfaces: A molecular dynamics study

T Yagasaki, M Matsumoto… - The Journal of Physical …, 2017 - ACS Publications
We investigate the mechanism of a typical kinetic hydrate inhibitor (KHI),
polyvinylcaprolactam (PVCap), which has been applied to prevent hydrate plugs from …

Molecular Study on Carbon Dioxide Hydrate Formation in Salty Water

Y Zhao, F Zeng, D Zhao, L Lin, Z Zhang - Crystal Growth & Design, 2023 - ACS Publications
Clathrate hydrate-based seawater desalination has the potential to be a low-energy,
environmentally friendly technique. However, the underlying hydrate growth and ion …

Probing the pathway of H2-THF and H2-DIOX sII hydrates formation: Implication on hydrate-based H2 storage

J Zhang, Y Li, Y Rao, Y Li, T He, P Linga, X Wang… - Applied Energy, 2024 - Elsevier
Hydrogen (H 2) is recognized as a promising energy carrier for the future world, owing to its
high energy density and zero carbon emissions. H 2 storage in the form of solidified …