Review of application of molecular dynamics simulations in geological sequestration of carbon dioxide
With increasing anthropogenic emissions of carbon dioxide (CO 2) in the environment,
various techniques have been proposed to safely store the generated CO 2. Geological …
various techniques have been proposed to safely store the generated CO 2. Geological …
Characterizing Mass-Transfer mechanism during gas hydrate formation from water droplets
Understanding the transport properties of water and guest molecules in dense hydrate
structures is pivotal in controlling their formation and stability; this is nevertheless hindered …
structures is pivotal in controlling their formation and stability; this is nevertheless hindered …
Mechanical Destabilization and Cage Transformations in Water Vacancy-Contained CO2 Hydrates
Clathrate hydrates show wide applications in energy recovery and storage, CO2 capture
and storage, and other sustainable technologies. Water vacancy in clathrate hydrates is a …
and storage, and other sustainable technologies. Water vacancy in clathrate hydrates is a …
Strengthening and weakening of methane hydrate by water vacancies.
Gas clathrate hydrates show promising applications in sustainable technologies such as
future energy resources, gas capture and storage. The stability of clathrate hydrates under …
future energy resources, gas capture and storage. The stability of clathrate hydrates under …
Molecular dynamics simulation studies of gas hydrate growth with im**ement
Y Liu, C Chen, W Hu, W Li, B Dong, Y Qin - Chemical Engineering Journal, 2021 - Elsevier
Clathrate hydrates have attracted much attention in energy and environment technology as
well as the nature of icy bodies. We report a molecular dynamics simulation study of …
well as the nature of icy bodies. We report a molecular dynamics simulation study of …
HTR: An ultra-high speed algorithm for cage recognition of clathrate hydrates
Clathrate hydrates find diverse significant applications including but not limited to future
energy resources, gas storage and transport, gas separation, water desalination, and …
energy resources, gas storage and transport, gas separation, water desalination, and …
Diffusion Model for Gas Replacement in an Isostructural CH4–CO2 Hydrate System
AN Salamatin, A Falenty, WF Kuhs - The journal of physical …, 2017 - ACS Publications
Guest exchange in clathrates is a complex activated phenomenon of the guest–host cage
interaction on the molecular-scale level. To model this process, we develop a mathematical …
interaction on the molecular-scale level. To model this process, we develop a mathematical …
[HTML][HTML] Enhancing the methane production from methane hydrate by cyclic N2–CO2 gas injection and soaking method: Significance of the slow diffusion-controlled …
M Yasue, Y Masuda, Y Liang - Applied Energy, 2025 - Elsevier
Methane hydrate (MH) is a crucial lower-carbon energy resource in climate mitigation and
current energy transition. A depressurization technique has been mainly attempted to …
current energy transition. A depressurization technique has been mainly attempted to …
Molecular dynamics simulation studies on the stability and dissociation of clathrate hydrates of single and double greenhouse gases
Comprehending and controlling the stability and dissociation of greenhouse gases hydrates
are critical for a variety of hydrate-based industrial applications, such as greenhouse gas …
are critical for a variety of hydrate-based industrial applications, such as greenhouse gas …
Clathrate hydrates: recent advances on CH4 and CO2 hydrates, and possible new frontiers
A Striolo - Molecular Physics, 2019 - Taylor & Francis
Gas hydrates continue to attract enormous attention throughout the energy industry, as both
a hindrance in conventional production and a substantial unconventional resource …
a hindrance in conventional production and a substantial unconventional resource …