Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane

Neutron powder diffraction data confirm that hydrate samples synthesized with propane crystallize as structure type II hydrate. The structure has been modeled using rigid-body constraints to describe C 3 H 8 molecules located in the eight larger polyhedral cavities of a deuterated host lattice. Data...

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Bibliographic Details
Published in:Canadian journal of physics Vol. 81; no. 1-2; pp. 431 - 438
Main Authors: Rawn, C J, Rondinone, A J, Chakoumakos, B C, Circone, S, Stern, L A, Kirby, S H, Ishii, Y
Format: Journal Article
Language:English
Published: Ottawa, Canada NRC Research Press 01.01.2003
Canadian Science Publishing NRC Research Press
Subjects:
Chemical structure
Ethane
Methane hydrate
Molecules
Neutrons
Propane
Temperature
ISSN:0008-4204, 1208-6045
Online Access:Get full text
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Summary:Neutron powder diffraction data confirm that hydrate samples synthesized with propane crystallize as structure type II hydrate. The structure has been modeled using rigid-body constraints to describe C 3 H 8 molecules located in the eight larger polyhedral cavities of a deuterated host lattice. Data were collected at 12, 40, 100, 130, 160, 190, 220, and 250 K and used to calculate the thermal expansivity from the temperature dependence of the lattice parameters. The data collected allowed for full structural refinement of atomic coordinates and the atomic-displacement parameters. PACS No.: 61.12-q
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ISSN:0008-4204
1208-6045
DOI:10.1139/p03-022