Microscopic Insights into the Formation of Methane Hydrate in the Absence/Presence of Electrolyte Ions

Abstract The formation of methane hydrate can be effectively inhibited by the electrolyte ions, but it remains to be a long‐term challenge to describe its molecular mechanism. In this work, molecular dynamics simulations were performed to explore the inhibition process of electrolyte solutions at mo...

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Published in:ChemistrySelect
Main Authors: Liu, Tingsong, Liu, Ni, Chen, Litao
Format: Article in Journal/Newspaper
Language:English
Published: Wiley 2020
Subjects:
Methane hydrate
Online Access:http://dx.doi.org/10.1002/slct.201904693
https://onlinelibrary.wiley.com/doi/pdf/10.1002/slct.201904693
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/slct.201904693
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spelling crwiley:10.1002/slct.201904693 2024-06-02T08:10:23+00:00 Microscopic Insights into the Formation of Methane Hydrate in the Absence/Presence of Electrolyte Ions Liu, Tingsong Liu, Ni Chen, Litao 2020 http://dx.doi.org/10.1002/slct.201904693 https://onlinelibrary.wiley.com/doi/pdf/10.1002/slct.201904693 https://onlinelibrary.wiley.com/doi/full-xml/10.1002/slct.201904693 en eng Wiley http://onlinelibrary.wiley.com/termsAndConditions#vor ChemistrySelect volume 5, issue 12, page 3508-3517 ISSN 2365-6549 2365-6549 journal-article 2020 crwiley https://doi.org/10.1002/slct.201904693 2024-05-03T11:21:20Z Abstract The formation of methane hydrate can be effectively inhibited by the electrolyte ions, but it remains to be a long‐term challenge to describe its molecular mechanism. In this work, molecular dynamics simulations were performed to explore the inhibition process of electrolyte solutions at molecular level. The simulation results manifest that the presence of electrolyte ions reduces the possibility of water molecules forming cage clusters of hydrates. Additionally, the growth rate of hydrates is closely related to the ionic concentration and ionic strength of the electrolyte solutions while has no obvious relationship with the ionic species. Finally, the defect structure of the hydrate was noticed and it was found that a little of ions can replace the water molecules in the clathrate structure to form a cage. Article in Journal/Newspaper Methane hydrate Wiley Online Library ChemistrySelect 5 12 3508 3517
institution Open Polar
collection Wiley Online Library
op_collection_id crwiley
language English
description Abstract The formation of methane hydrate can be effectively inhibited by the electrolyte ions, but it remains to be a long‐term challenge to describe its molecular mechanism. In this work, molecular dynamics simulations were performed to explore the inhibition process of electrolyte solutions at molecular level. The simulation results manifest that the presence of electrolyte ions reduces the possibility of water molecules forming cage clusters of hydrates. Additionally, the growth rate of hydrates is closely related to the ionic concentration and ionic strength of the electrolyte solutions while has no obvious relationship with the ionic species. Finally, the defect structure of the hydrate was noticed and it was found that a little of ions can replace the water molecules in the clathrate structure to form a cage.
format Article in Journal/Newspaper
author Liu, Tingsong
Liu, Ni
Chen, Litao
spellingShingle Liu, Tingsong
Liu, Ni
Chen, Litao
Microscopic Insights into the Formation of Methane Hydrate in the Absence/Presence of Electrolyte Ions
author_facet Liu, Tingsong
Liu, Ni
Chen, Litao
author_sort Liu, Tingsong
title Microscopic Insights into the Formation of Methane Hydrate in the Absence/Presence of Electrolyte Ions
title_short Microscopic Insights into the Formation of Methane Hydrate in the Absence/Presence of Electrolyte Ions
title_full Microscopic Insights into the Formation of Methane Hydrate in the Absence/Presence of Electrolyte Ions
title_fullStr Microscopic Insights into the Formation of Methane Hydrate in the Absence/Presence of Electrolyte Ions
title_full_unstemmed Microscopic Insights into the Formation of Methane Hydrate in the Absence/Presence of Electrolyte Ions
title_sort microscopic insights into the formation of methane hydrate in the absence/presence of electrolyte ions
publisher Wiley
publishDate 2020
url http://dx.doi.org/10.1002/slct.201904693
https://onlinelibrary.wiley.com/doi/pdf/10.1002/slct.201904693
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/slct.201904693
genre Methane hydrate
genre_facet Methane hydrate
op_source ChemistrySelect
volume 5, issue 12, page 3508-3517
ISSN 2365-6549 2365-6549
op_rights http://onlinelibrary.wiley.com/termsAndConditions#vor
op_doi https://doi.org/10.1002/slct.201904693
container_title ChemistrySelect
container_volume 5
container_issue 12
container_start_page 3508
op_container_end_page 3517
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