Hydrate Technologies for CO2 Capture and Sequestration: Status and Perspectives

P Wang, Y Li, N Sun, S Han, X Wang, Q Su… - Chemical …, 2024‏ - ACS Publications
CO2 capture and sequestration based on hydrate technology are considered supplementary
approaches for reducing carbon emissions and mitigating the greenhouse effect. Direct CO2 …

Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges

NJ English, JMD MacElroy - Chemical Engineering Science, 2015‏ - Elsevier
In this review, the intriguing properties of clathrate hydrates shall be discussed, as well as
their environmental impact and prospects for energy exploitation in industry. In particular, the …

Replacement mechanism of methane hydrate with carbon dioxide from microsecond molecular dynamics simulations

D Bai, X Zhang, G Chen, W Wang - Energy & Environmental Science, 2012‏ - pubs.rsc.org
Replacement of CH4 in hydrate form with CO2 is a candidate for recovering CH4 gas from
its hydrates and storing CO2. In this work, microsecond molecular dynamics simulations …

Determining the three-phase coexistence line in methane hydrates using computer simulations

MM Conde, C Vega - The Journal of chemical physics, 2010‏ - pubs.aip.org
Molecular dynamics simulations have been performed to estimate the three-phase (solid
hydrate-liquid water-gaseous methane) coexistence line for the water-methane binary …

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 …

Molecular dynamics simulation of CO2 hydrates: Prediction of three phase coexistence line

JM Míguez, MM Conde, JP Torré, FJ Blas… - The Journal of …, 2015‏ - pubs.aip.org
The three phase equilibrium line (hydrate-liquid water-liquid carbon dioxide) has been
estimated for the water+ carbon dioxide binary mixture using molecular dynamics simulation …

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 Simulation of the Potential of Methane Reoccupation during the Replacement of Methane Hydrate by CO2

CY Geng, H Wen, H Zhou - The journal of physical chemistry A, 2009‏ - ACS Publications
Molecular dynamics simulations and stabilization energy calculations are performed in this
work in order to understand the stability of CH4 hydrate, CO2 hydrate, and CH4− CO2 mixed …

A review on simulation of methane production from gas hydrate reservoirs: Molecular dynamics prospective

J Kondori, S Zendehboudi, ME Hossain - Journal of Petroleum Science and …, 2017‏ - Elsevier
Hydrate reservoirs have steadily emerged as an important contributor in energy storage. To
better understand the role of hydrates in gas production, it is vital to know the challenges …

A potential model for methane in water describing correctly the solubility of the gas and the properties of the methane hydrate

H Docherty, A Galindo, C Vega, E Sanz - The Journal of chemical …, 2006‏ - pubs.aip.org
We have obtained the excess chemical potential of methane in water, over a broad range of
temperatures, from computer simulation. The methane molecules are described as simple …