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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| Vydáno v: | Canadian journal of physics Ročník 81; číslo 1-2; s. 431 - 438 |
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| Hlavní autoři: | , , , , , , |
| Médium: | Journal Article |
| Jazyk: | angličtina |
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Ottawa, Canada
NRC Research Press
01.01.2003
Canadian Science Publishing NRC Research Press |
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| ISSN: | 0008-4204, 1208-6045 |
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| Abstract | 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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| AbstractList | 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 Csub 3Hsub 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. [PUBLICATION ABSTRACT] 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 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 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^sub 3^H^sub 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. [PUBLICATION ABSTRACT] |
| Abstract_FL | Les données de diffusion de neutrons sur poudre confirment que les échantillons synthétisés avec du propane cristallisent selon une structure d'hydrates de type II. Nous avons modélisé la structure en utilisant les contraintes d'un corps rigide pour décrire les molécules de C
3
H
8
localisées dans les huit plus grandes cavités polyédrique d'un réseau à hôte deutéré. Nous avons effectué des mesures à 12, 40, 100, 130, 160, 190, 220 et 250 K et les avons utilisées pour calculer les propriétés d'expansion thermique à partir de la dépendance en température des paramètres du réseau. Les données recueillies ont permis une révision complète des coordonnées des atomes dans la structure ainsi que des paramètres de déplacement atomique. [Traduit par la Rédaction] |
| Author | Rawn, C J Ishii, Y Stern, L A Rondinone, A J Kirby, S H Chakoumakos, B C Circone, S |
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| Snippet | Neutron powder diffraction data confirm that hydrate samples synthesized with propane crystallize as structure type II hydrate. The structure has been modeled... |
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| SubjectTerms | Chemical structure Ethane Methane hydrate Molecules Neutrons Propane Temperature |
| Title | Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane |
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