Competition between CH4 hydrate formation and phase separation in a wetted metal–organic framework MIL-101 at moderate subcooling: molecular insights into CH4 storage

Author:

He Zhongjin1ORCID,Jiang Jianwen2ORCID,Jiang Guosheng1,Ning Fulong1ORCID

Affiliation:

1. National Center for International Research on Deep Earth Drilling and Resource Development, Faculty of Engineering, China University of Geosciences, Wuhan, Hubei 430074, China

2. Department of Chemical and Biomolecular Engineering, National University of Singapore, 117576, Singapore

Abstract

Systematic molecular dynamics simulations reveal the competition between CH4 hydrate formation and phase separation of CH4 in a mesoporous metal–organic framework MIL-101 at moderate subcooling.

Funder

National Natural Science Foundation of China

National Science Foundation for Distinguished Young Scholars

Publisher

Royal Society of Chemistry (RSC)

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