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Supervised by Ministry of Industry and Information Technology of The People's Republic of China Sponsored by Harbin Institute of Technology Editor-in-chief Yu Zhou ISSNISSN 1005-9113 CNCN 23-1378/T

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Molecular dynamics simulation of hydrate decomposition under action of alcohol inhibitors
Author NameAffiliationPostcode
Shuyan Wang School of Petroleum Engineering, Northeast Petroleum University, Daqing 163318,Heilongjiang,China 163318
Xuqing Zha School of Petroleum Engineering, Northeast Petroleum University, Daqing 163318,Heilongjiang,China 163318
Baoli Shao* School of Petroleum Engineering, Northeast Petroleum University, Daqing 163318,Heilongjiang,China 163318
Jing Wang School of Petroleum Engineering, Northeast Petroleum University, Daqing 163318,Heilongjiang,China 163318
Xi Chen School of Petroleum Engineering, Northeast Petroleum University, Daqing 163318,Heilongjiang,China 163318
Jiawei Fan School of Petroleum Engineering, Northeast Petroleum University, Daqing 163318,Heilongjiang,China 163318
Abstract:
The molecular dynamics method is used to investigate decomposition of methane hydrate at different temperatures, pressures and concentrations of inhibitor. By analyzing the parameters of system conformation, mean square displacement and radial distribution function, the decomposition of hydrate in the presence of alcohol inhibitors ethylene glycol and glycerol is explored. The results show that the hydroxyl groups in alcohol molecules can destroy the cage structure of hydrate, and form hydrogen bonds with nearby water molecules to effectively prevent the reformation of hydrate. Therefore, ethylene glycol and glycerol serve as inhibitors of methane hydrate, furthermore, in terms of inhibition effect, glycerol is better than ethylene glycol by comparing rate of hydrate decomposition.
Key words:  Methane hydrate  Alcohol inhibitors  Molecular dynamics simulation  Decompose
DOI:10.11916/j.issn.1005-9113.22051
Clc Number:TE832
Fund:

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