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Updated: Jul 25, 2025

Protocol for Measuring the Thermal Properties of a Supercooled Synthetic Sand-water-gas-methane Hydrate Sample
Published on: March 21, 2016
Ab Initio Studies of Structural and Mechanical Properties of NH3, NO, and N2O Hydrates
Ningru Sun1,2, Yanjun Li1, Nianxiang Qiu2
1College of Power and Energy Engineering, Harbin Engineering University, Nantong Street, Harbin 150001, P. R. China.
Abstract:
The investigation on the mechanical properties of clathrate hydrate is closely related to the exploitation of hydrates and gas transportation. In this article, the structural and mechanical properties of some nitride gas hydrates were studied using DFT calculations. First, the equilibrium lattice structure is obtained by geometric structure optimization; then, the complete second-order elastic constant is determined by energy-strain analysis, and the polycrystalline elasticity is predicted. It is found that the NH3, N2O, and NO hydrates all have high elastic isotropy but are different in shear characteristics. This work may lay a theoretical foundation for studying the structural evolution of clathrate hydrates under the mechanical field.
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