Local structure and distortions of mixed methane-carbon dioxide hydrates
A vast source of methane is found in gas hydrate deposits, which form naturally dispersed throughout ocean sediments and arctic permafrost. Methane may be obtained from hydrates by exchange with hydrocarbon byproduct carbon dioxide. It is imperative for the development of safe methane extraction and...
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ftpubmed:oai:pubmedcentral.nih.gov:9814247 2023-05-15T15:04:17+02:00 Local structure and distortions of mixed methane-carbon dioxide hydrates Cladek, Bernadette R. Everett, S. Michelle McDonnell, Marshall T. Tucker, Matthew G. Keffer, David J. Rawn, Claudia J. 2021-01-19 http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814247/ https://doi.org/10.1038/s42004-020-00441-7 en eng Nature Publishing Group UK http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814247/ http://dx.doi.org/10.1038/s42004-020-00441-7 © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . CC-BY Commun Chem Article Text 2021 ftpubmed https://doi.org/10.1038/s42004-020-00441-7 2023-01-15T01:36:07Z A vast source of methane is found in gas hydrate deposits, which form naturally dispersed throughout ocean sediments and arctic permafrost. Methane may be obtained from hydrates by exchange with hydrocarbon byproduct carbon dioxide. It is imperative for the development of safe methane extraction and carbon dioxide sequestration to understand how methane and carbon dioxide co-occupy the same hydrate structure. Pair distribution functions (PDFs) provide atomic-scale structural insight into intermolecular interactions in methane and carbon dioxide hydrates. We present experimental neutron PDFs of methane, carbon dioxide and mixed methane-carbon dioxide hydrates at 10 K analyzed with complementing classical molecular dynamics simulations and Reverse Monte Carlo fitting. Mixed hydrate, which forms during the exchange process, is more locally disordered than methane or carbon dioxide hydrates. The behavior of mixed gas species cannot be interpolated from properties of pure compounds, and PDF measurements provide important understanding of how the guest composition impacts overall order in the hydrate structure. Text Arctic permafrost PubMed Central (PMC) Arctic Communications Chemistry 4 1 |
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Article Cladek, Bernadette R. Everett, S. Michelle McDonnell, Marshall T. Tucker, Matthew G. Keffer, David J. Rawn, Claudia J. Local structure and distortions of mixed methane-carbon dioxide hydrates |
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Article |
description |
A vast source of methane is found in gas hydrate deposits, which form naturally dispersed throughout ocean sediments and arctic permafrost. Methane may be obtained from hydrates by exchange with hydrocarbon byproduct carbon dioxide. It is imperative for the development of safe methane extraction and carbon dioxide sequestration to understand how methane and carbon dioxide co-occupy the same hydrate structure. Pair distribution functions (PDFs) provide atomic-scale structural insight into intermolecular interactions in methane and carbon dioxide hydrates. We present experimental neutron PDFs of methane, carbon dioxide and mixed methane-carbon dioxide hydrates at 10 K analyzed with complementing classical molecular dynamics simulations and Reverse Monte Carlo fitting. Mixed hydrate, which forms during the exchange process, is more locally disordered than methane or carbon dioxide hydrates. The behavior of mixed gas species cannot be interpolated from properties of pure compounds, and PDF measurements provide important understanding of how the guest composition impacts overall order in the hydrate structure. |
format |
Text |
author |
Cladek, Bernadette R. Everett, S. Michelle McDonnell, Marshall T. Tucker, Matthew G. Keffer, David J. Rawn, Claudia J. |
author_facet |
Cladek, Bernadette R. Everett, S. Michelle McDonnell, Marshall T. Tucker, Matthew G. Keffer, David J. Rawn, Claudia J. |
author_sort |
Cladek, Bernadette R. |
title |
Local structure and distortions of mixed methane-carbon dioxide hydrates |
title_short |
Local structure and distortions of mixed methane-carbon dioxide hydrates |
title_full |
Local structure and distortions of mixed methane-carbon dioxide hydrates |
title_fullStr |
Local structure and distortions of mixed methane-carbon dioxide hydrates |
title_full_unstemmed |
Local structure and distortions of mixed methane-carbon dioxide hydrates |
title_sort |
local structure and distortions of mixed methane-carbon dioxide hydrates |
publisher |
Nature Publishing Group UK |
publishDate |
2021 |
url |
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814247/ https://doi.org/10.1038/s42004-020-00441-7 |
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Arctic |
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Arctic |
genre |
Arctic permafrost |
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Arctic permafrost |
op_source |
Commun Chem |
op_relation |
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814247/ http://dx.doi.org/10.1038/s42004-020-00441-7 |
op_rights |
© The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
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CC-BY |
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https://doi.org/10.1038/s42004-020-00441-7 |
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Communications Chemistry |
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4 |
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