Phase diagram of water-methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates

5 years ago

Phase diagram of water-methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates

Yan Su, Xue Jiang, Jijun Zhao, Yingying Huang, Xiaoxiao Cao

We disclose a new dense methane hydrate phases (MH-IV) using the Monte-Carlo packing algorithm and density-functional theory (DFT) optimization, which is superior to previous reported filled ices to apply to energy storage.

Publisher URL: http://feeds.rsc.org/~r/rss/CP/~3/yIQDeykyq3k/C7CP01147D

DOI: 2017/CP/C7CP01147D

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