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International Conference on Gas Hydrates (ICGH) (6th : 2008)

FIRST-PRINCIPLES STUDY ON MECHANICAL PROPERTIES OF CH4 HYDRATE Miranda, Caetano R.; Matsuoka, Toshifumi

Abstract

The structural and mechanical properties of s-I methane hydrate have been investigated by first principles calculations. For the first time, the fully elastic constant tensor of s-I methane hydrate is obtained entirely ab-initio. The calculated lattice parameter, bulk modulus, and elastic constants were found to be in good agreement with experimental data at ambient pressure. The Young modulus, Poisson ratio and bulk sound velocities are estimated from the calculated elastic constants and compared with wave speed measurements available.

Item Metadata

Title
FIRST-PRINCIPLES STUDY ON MECHANICAL PROPERTIES OF CH4 HYDRATE
Creator
Miranda, Caetano R.; Matsuoka, Toshifumi
Contributor
University of British Columbia. Department of Chemical and Biological Engineering; International Conference on Gas Hydrates (6th : 2008 : Vancouver, B.C.)
Date Issued
2008-07
Description
The structural and mechanical properties of s-I methane hydrate have been investigated by first principles calculations. For the first time, the fully elastic constant tensor of s-I methane hydrate is obtained entirely ab-initio. The calculated lattice parameter, bulk modulus, and elastic constants were found to be in good agreement with experimental data at ambient pressure. The Young modulus, Poisson ratio and bulk sound velocities are estimated from the calculated elastic constants and compared with wave speed measurements available.
Extent
98927 bytes
Subject
Mechanical properties; Lattice parameter; Bulk modulus; Elastic constants; Methane hydrate; First-principles calculations
Genre
Conference Paper
Type
Text
File Format
application/pdf
Language
eng
Date Available
2008-07-22
Provider
Vancouver : University of British Columbia Library
Rights
Attribution-NonCommercial-NoDerivatives 4.0 International
DOI
10.14288/1.0041001
URI
http://hdl.handle.net/2429/1068
Affiliation
Non UBC
Citation
Miranda, Caetano R.; Matsuoka, Toshifumi. 2008. FIRST-PRINCIPLES STUDY ON MECHANICAL PROPERTIES OF CH4 HYDRATE. Proceedings of the 6th International Conference on Gas Hydrates (ICGH 2008), Vancouver, British Columbia, CANADA, July 6-10, 2008.
Peer Review Status
Unreviewed
Copyright Holder
Miranda, Caetano R.
Rights URI
http://creativecommons.org/licenses/by-nc-nd/4.0/
Aggregated Source Repository
DSpace

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Attribution-NonCommercial-NoDerivatives 4.0 International