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

C. J. Rawn; A. J. Rondinone; B. C. Chakoumakos; S. Circone; L. A. Stern; S. H. Kirby; Y. Ishii

doi:10.1139/p03-022

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

C. J. Rawn, A. J. Rondinone, B. C. Chakoumakos, S. Circone, L. A. Stern, S. H. Kirby, Y. Ishii

Single Crystal Diffraction

Research output: Contribution to journal › Article › peer-review

59 Scopus citations

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 C₃H₈ 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.

Original language	English
Pages (from-to)	431-438
Number of pages	8
Journal	Canadian Journal of Physics
Volume	81
Issue number	1-2
DOIs	https://doi.org/10.1139/p03-022
State	Published - Jan 2003

Access to Document

10.1139/p03-022

Cite this

@article{1c3a67aadad64d25a1b8c6ba42a6ae5f,

title = "Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane",

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 C3H8 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.",

author = "Rawn, {C. J.} and Rondinone, {A. J.} and Chakoumakos, {B. C.} and S. Circone and Stern, {L. A.} and Kirby, {S. H.} and Y. Ishii",

year = "2003",

month = jan,

doi = "10.1139/p03-022",

language = "English",

volume = "81",

pages = "431--438",

journal = "Canadian Journal of Physics",

issn = "0008-4204",

publisher = "Canadian Science Publishing",

number = "1-2",

}

TY - JOUR

T1 - Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane

AU - Rawn, C. J.

AU - Rondinone, A. J.

AU - Chakoumakos, B. C.

AU - Circone, S.

AU - Stern, L. A.

AU - Kirby, S. H.

AU - Ishii, Y.

PY - 2003/1

Y1 - 2003/1

N2 - 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 C3H8 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.

AB - 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 C3H8 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.

UR - http://www.scopus.com/inward/record.url?scp=0038256171&partnerID=8YFLogxK

U2 - 10.1139/p03-022

DO - 10.1139/p03-022

M3 - Article

AN - SCOPUS:0038256171

SN - 0008-4204

VL - 81

SP - 431

EP - 438

JO - Canadian Journal of Physics

JF - Canadian Journal of Physics

IS - 1-2

ER -

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

Abstract

Access to Document

Other files and links

Fingerprint

Cite this