First-principles investigation on the structural stability of methane and ethane clathrate hydrates

Article ID	Journal	Published Year	Pages	File Type
5395014	Computational and Theoretical Chemistry	2011	4 Pages	PDF

Abstract

âº Density functional theory calculations on methane and ethane hydrates. âº Methane favors structure s1 in single occupation. âº Structures s1 and s2 coexist for methane and ethane mixture. âº Structure s2 is preferred for both methane and ethane in presence of tetrahydrofuran.

Keywords

Ethane hydrate Tetrahydrofuran hydrate Methane hydrate Structural stability Density functional theory calculations

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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First-principles investigation on the structural stability of methane and ethane clathrate hydrates

Authors

Luzhi Xu, Xu Wang, Liuxia Liu, Minghui Yang,