Cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a DFT-D simulation

Water-cages tend to form dense accumulation configurations; and 5 12 and 4 1 5 10 6 2 cages are abundant in the early nucleation stage of CH 4 hydrates.

Bibliographic Details
Published in:Physical Chemistry Chemical Physics
Main Authors: Li, Keyao, Shi, Ruili, Tang, Lingli, Huang, Yingying, Cao, Xiaoxiao, Su, Yan
Other Authors: National Natural Science Foundation of China
Format: Article in Journal/Newspaper
Language:English
Published: Royal Society of Chemistry (RSC) 2019
Subjects:
Methane hydrate
Online Access:http://dx.doi.org/10.1039/c8cp07207h
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07207H
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spelling crroyalschem:10.1039/c8cp07207h 2024-05-19T07:44:00+00:00 Cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a DFT-D simulation Li, Keyao Shi, Ruili Tang, Lingli Huang, Yingying Cao, Xiaoxiao Su, Yan National Natural Science Foundation of China 2019 http://dx.doi.org/10.1039/c8cp07207h http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07207H en eng Royal Society of Chemistry (RSC) http://rsc.li/journals-terms-of-use Physical Chemistry Chemical Physics volume 21, issue 18, page 9150-9158 ISSN 1463-9076 1463-9084 journal-article 2019 crroyalschem https://doi.org/10.1039/c8cp07207h 2024-04-25T08:01:28Z Water-cages tend to form dense accumulation configurations; and 5 12 and 4 1 5 10 6 2 cages are abundant in the early nucleation stage of CH 4 hydrates. Article in Journal/Newspaper Methane hydrate Royal Society of Chemistry Physical Chemistry Chemical Physics 21 18 9150 9158
institution Open Polar
collection Royal Society of Chemistry
op_collection_id crroyalschem
language English
description Water-cages tend to form dense accumulation configurations; and 5 12 and 4 1 5 10 6 2 cages are abundant in the early nucleation stage of CH 4 hydrates.
author2 National Natural Science Foundation of China
format Article in Journal/Newspaper
author Li, Keyao
Shi, Ruili
Tang, Lingli
Huang, Yingying
Cao, Xiaoxiao
Su, Yan
spellingShingle Li, Keyao
Shi, Ruili
Tang, Lingli
Huang, Yingying
Cao, Xiaoxiao
Su, Yan
Cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a DFT-D simulation
author_facet Li, Keyao
Shi, Ruili
Tang, Lingli
Huang, Yingying
Cao, Xiaoxiao
Su, Yan
author_sort Li, Keyao
title Cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a DFT-D simulation
title_short Cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a DFT-D simulation
title_full Cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a DFT-D simulation
title_fullStr Cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a DFT-D simulation
title_full_unstemmed Cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a DFT-D simulation
title_sort cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a dft-d simulation
publisher Royal Society of Chemistry (RSC)
publishDate 2019
url http://dx.doi.org/10.1039/c8cp07207h
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07207H
genre Methane hydrate
genre_facet Methane hydrate
op_source Physical Chemistry Chemical Physics
volume 21, issue 18, page 9150-9158
ISSN 1463-9076 1463-9084
op_rights http://rsc.li/journals-terms-of-use
op_doi https://doi.org/10.1039/c8cp07207h
container_title Physical Chemistry Chemical Physics
container_volume 21
container_issue 18
container_start_page 9150
op_container_end_page 9158
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