Molecular dynamics predictions of transport properties for carbon dioxide hydrates under pre-nucleation conditions using TIP4P/Ice water and EPM2, TraPPE, and …

A Guerra, S Mathews, JT Su, M Marić, P Servio… - Journal of Molecular …, 2023 - Elsevier
Introduction: New technologies that leverage gas hydrates phenomena include carbon
capture and sequestrations. These processes are often semi-continuous and require …

Atomistic-geometric simulations to investigate the mechanical stability of monocrystalline sI methane hydrates under pressure

X Zhu, A Guerra, P Servio, AD Rey - Scientific Reports, 2023 - nature.com
Gas hydrate mechanical stability under pressure is critically important in energy supply,
global warming, and carbon-neutral technologies. The stability of these polyhedral guest …

DFT-continuum characterization of third-order elasticity of sI methane hydrates under pressure

X Zhu, A Guerra, P Servio, AD Rey - Materials Research Express, 2023 - iopscience.iop.org
Methane gas hydrates (GHs) are polyhedral crystalline guest-host materials found under
high pressure and low-temperature conditions, which can serve as an energy source …

Rheological study of methane gas hydrates in the presence of micron-sized sand particles

B Shi, S Song, Y Chen, S Fu, L Liu, X Yang… - Chinese Journal of …, 2024 - Elsevier
Natural gas hydrates, intricate crystalline structures formed by water molecules and small
gas molecules, have emerged as a significant and globally impactful clean energy resource …

[图书][B] Multiscale Modelling of Si Methane Hydrate: Stability Limits and Mechanical Properties Under Pressure

X Zhu - 2023 - search.proquest.com
This thesis presents a multi-scale characterization of the mechanical properties, equation of
state, pressure stability limits, fracture mechanisms and structural organization of methane …