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Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures
Stockholm Univ, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden..
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.ORCID iD: 0000-0002-0323-0210
Univ Fed Juiz de Fora, Dept Chem, BR-36036900 Juiz De Fora, Brazil..
Univ Fed Juiz de Fora, Dept Chem, BR-36036900 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 H-2 and Ne clathrate hydrates with approximate composition H-2/Ne center dot~4H(2)O 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 C-1 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 C-2 phase (H-2 center dot H2O, filled ice I-c) and ice VIII' takes place. Upon heating to 200 K the CS-II to C-1 transition completes instantly whereas C-1 decomposition appears sluggish also at 200 K. C-1 was observed metastably up to 8 GPa. At 95 K C-1 and C-2 hydrogen hydrate can be retained below 1 GPa and yield ice II and ice I-c, 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 C-2 hydrate and ice VIII'.

Place, publisher, year, edition, pages
MDPI AG MDPI, 2022. Vol. 12, no 1, article id 9
Keywords [en]
hydrogen hydrate, neon hydrate, pressure effects, neutron diffraction, molecular dynamics, clathrate hydrates
National Category
Condensed Matter Physics Materials Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-467404DOI: 10.3390/cryst12010009ISI: 000749277100001OAI: oai:DiVA.org:uu-467404DiVA, id: diva2:1638905
Funder
Swedish Foundation for Strategic Research Swedish Research Council, 2018-05973Available from: 2022-02-18 Created: 2022-02-18 Last updated: 2024-12-03Bibliographically approved

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Mace, Amber

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