Phase diagram of water–methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates-Reference-Cited by-同舟云学术

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

Published:2017 Issue:24 Volume:19 Page:15996-16002
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Cao Xiaoxiao¹²³⁴,Huang Yingying⁵⁶⁷⁸⁴,Jiang Xue⁵⁶⁷⁸⁴^ORCID,Su Yan⁵⁶⁷⁸⁴,Zhao Jijun⁵⁶⁷⁸⁴^ORCID

Affiliation:

1. College of Physics and Electronic Engineering

2. Jiangsu Second Normal University

3. Nanjing 210013

4. China

5. Key Laboratory of Materials Modification by Laser

6. Ion and Electron Beams (Dalian University of Technology)

7. Ministry of Education

8. Dalian 116024

Abstract

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.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP01147D

Reference48 articles.

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4. Tuning clathrate hydrates for hydrogen storage

5. Sequestering carbon dioxide into complex structures of naturally occurring gas hydrates

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