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Exploring high-pressure transformations in low-Z (H2, Ne) hydrates at low temperatures
Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden.
Department of Chemistry-Ångström Laboratory, Uppsala University, Uppsala, Sweden.
Department of Chemistry, Federal University of Juiz de Fora, Juiz de Fora, Brazil.
Department of Chemistry, Federal University of Juiz de Fora, Juiz de Fora, Brazil.
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2022 (English)In: Crystals, ISSN 2073-4352, Vol. 12, no 1, article id 9Article in journal (Refereed) Published
Abstract [en]

The high pressure structural behavior of H2 and Ne clathrate hydrates with approximate composition H2/Ne·~4H2O and featuring cubic structure II (CS-II) was investigated by neutron powder diffraction using the deuterated analogues at ~95 K. CS-II hydrogen hydrate transforms gradually to isocompositional C1 phase (filled ice II) at around 1.1 GPa but may be metastably retained up to 2.2 GPa. Above 3 GPa a gradual decomposition into C2 phase (H2·H2O, filled ice Ic) and ice VIII’ takes place. Upon heating to 200 K the CS-II to C1 transition completes instantly whereas C1 decomposition appears sluggish also at 200 K. C1 was observed metastably up to 8 GPa. At 95 K C1 and C2 hydrogen hydrate can be retained below 1 GPa and yield ice II and ice Ic, respectively, upon complete release of pressure. In contrast, CS-II neon hydrate undergoes pressure-induced amorphization at 1.9 GPa, thus following the general trend for noble gas clathrate hydrates. Upon heating to 200 K amorphous Ne hydrate crystallizes as a mixture of previously unreported C2 hydrate and ice VIII’.

Place, publisher, year, edition, pages
MDPI, 2022. Vol. 12, no 1, article id 9
Keywords [en]
Clathrate hydrates, Hydrogen hydrate, Molecular dynamics, Neon hydrate, Neutron diffraction, Pressure effects
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:umu:diva-190946DOI: 10.3390/cryst12010009ISI: 000749277100001Scopus ID: 2-s2.0-85121594030OAI: oai:DiVA.org:umu-190946DiVA, id: diva2:1624869
Funder
Swedish Research Council, 2018-05973Available from: 2022-01-05 Created: 2022-01-05 Last updated: 2023-09-05Bibliographically approved

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Andersson, Ove

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