Phase diagram of water–methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates

We disclose a new dense methane hydrate phases (MH-IV) using the Monte-Carlo packing algorithm and density-functional theory (DFT) optimization, which is superior to previous reported filled ices to apply to energy storage.

Bibliographic Details
Published in:Physical Chemistry Chemical Physics
Main Authors: Cao, Xiaoxiao, Huang, Yingying, Jiang, Xue, Su, Yan, Zhao, Jijun
Other Authors: National Natural Science Foundation of China
Format: Article in Journal/Newspaper
Language:English
Published: Royal Society of Chemistry (RSC) 2017
Subjects:
Methane hydrate
Online Access:http://dx.doi.org/10.1039/c7cp01147d
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP01147D
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spelling crroyalschem:10.1039/c7cp01147d 2024-09-09T19:52:08+00:00 Phase diagram of water–methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates Cao, Xiaoxiao Huang, Yingying Jiang, Xue Su, Yan Zhao, Jijun National Natural Science Foundation of China 2017 http://dx.doi.org/10.1039/c7cp01147d http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP01147D en eng Royal Society of Chemistry (RSC) Physical Chemistry Chemical Physics volume 19, issue 24, page 15996-16002 ISSN 1463-9076 1463-9084 journal-article 2017 crroyalschem https://doi.org/10.1039/c7cp01147d 2024-07-08T04:28:18Z We disclose a new dense methane hydrate phases (MH-IV) using the Monte-Carlo packing algorithm and density-functional theory (DFT) optimization, which is superior to previous reported filled ices to apply to energy storage. Article in Journal/Newspaper Methane hydrate Royal Society of Chemistry Physical Chemistry Chemical Physics 19 24 15996 16002
institution Open Polar
collection Royal Society of Chemistry
op_collection_id crroyalschem
language English
description We disclose a new dense methane hydrate phases (MH-IV) using the Monte-Carlo packing algorithm and density-functional theory (DFT) optimization, which is superior to previous reported filled ices to apply to energy storage.
author2 National Natural Science Foundation of China
format Article in Journal/Newspaper
author Cao, Xiaoxiao
Huang, Yingying
Jiang, Xue
Su, Yan
Zhao, Jijun
spellingShingle Cao, Xiaoxiao
Huang, Yingying
Jiang, Xue
Su, Yan
Zhao, Jijun
Phase diagram of water–methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates
author_facet Cao, Xiaoxiao
Huang, Yingying
Jiang, Xue
Su, Yan
Zhao, Jijun
author_sort Cao, Xiaoxiao
title Phase diagram of water–methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates
title_short Phase diagram of water–methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates
title_full Phase diagram of water–methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates
title_fullStr Phase diagram of water–methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates
title_full_unstemmed Phase diagram of water–methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates
title_sort phase diagram of water–methane by first-principles thermodynamics: discovery of mh-iv and mh-v hydrates
publisher Royal Society of Chemistry (RSC)
publishDate 2017
url http://dx.doi.org/10.1039/c7cp01147d
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP01147D
genre Methane hydrate
genre_facet Methane hydrate
op_source Physical Chemistry Chemical Physics
volume 19, issue 24, page 15996-16002
ISSN 1463-9076 1463-9084
op_doi https://doi.org/10.1039/c7cp01147d
container_title Physical Chemistry Chemical Physics
container_volume 19
container_issue 24
container_start_page 15996
op_container_end_page 16002
_version_ 1809921493635694592

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