Molecular dynamics simulation of methane hydrate dissociation by depressurisation

Methane (CH4) hydrate dissociation and the mechanism by depressurisation are investigated by molecular dynamics (MD) simulation. The hydrate decomposition processes are studied by the vacuum removal method' and the normal method. It is found that the hydrate decomposition is promoted by depress...

Full description

Bibliographic Details
Published in:Molecular Simulation
Main Authors: Yan, KeFeng, Li, XiaoSen, Chen, ZhaoYang, Li, Bo, Xu, ChunGang
Format: Article in Journal/Newspaper
Language:English
Published: 2013
Subjects:
Methane Hydrate
Depressurisation
Molecular Dynamics Simulation
Hydrate Production
Science & Technology
Physical Sciences
Chemistry
Physics
GAS HYDRATE
ENERGY RESOURCE
THERMAL-STIMULATION
KINETIC INHIBITOR
POROUS-MEDIA
DECOMPOSITION
INTERFACE
MECHANISM
HYDROGEN
GROWTH
Physical
Atomic
Molecular & Chemical
Methane hydrate
Online Access:http://ir.giec.ac.cn/handle/344007/9160
https://doi.org/10.1080/08927022.2012.718437
Description
Summary:Methane (CH4) hydrate dissociation and the mechanism by depressurisation are investigated by molecular dynamics (MD) simulation. The hydrate decomposition processes are studied by the vacuum removal method' and the normal method. It is found that the hydrate decomposition is promoted by depressurisation. The quasi-liquid layer is formed in the hydrate surface layer. The driving force of dissociation is found to be controlled by the concentration gradient between the H2O molecules of the hydrate surface layer and the H2O molecules of the hydrate inner layer. The clathrates collapse gradually, and the hydrate decomposes layer by layer. Relative to our previous MD simulation results, this study shows that the rate of the hydrate dissociation by depressurisation is slower than that by the thermal stimulation and the inhibitor injection. This study illustrated that MD simulation can play a significant role in investigating the hydrate decomposition mechanisms.

Similar Items