FIRST-PRINCIPLES STUDY ON MECHANICAL PROPERTIES OF CH4 HYDRATE

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...

Full description

Bibliographic Details
Main Authors: Miranda, Caetano R., Matsuoka, Toshifumi
Other Authors: University of British Columbia. Department of Chemical and Biological Engineering, International Conference on Gas Hydrates (6th : 2008 : Vancouver, B.C.)
Format: Conference Object
Language:English
Published: 2008
Subjects:
Mechanical properties
Lattice parameter
Bulk modulus
Elastic constants
Methane hydrate
First-principles calculations
Online Access:http://hdl.handle.net/2429/1068
Description
Summary: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. Non UBC Unreviewed

Similar Items