Review of molecular simulations of methane storage in metal-organic frameworks

Seung Joon Lee, Youn Sang Bae

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)


Methane storage in porous materials is one of the hot issues because it can replace dangerous high-pressure compressed natural gas (CNG) tanks in natural gas vehicles. Among the diverse adsorbents, metal-organic frameworks (MOFs) are considered to be promising due to their extremely high surface areas and low crystal densities. Molecular simulation has been considered as an important tool for finding an appropriate MOF for methane storage. We review several important roles of molecular modeling for the studies of methane adsorption in MOFs.

Original languageEnglish
Pages (from-to)4284-4290
Number of pages7
JournalJournal of Nanoscience and Nanotechnology
Issue number5
Publication statusPublished - 2016 May

Bibliographical note

Publisher Copyright:
Copyright © 2016 American Scientific Publishers All rights reserved.

All Science Journal Classification (ASJC) codes

  • Bioengineering
  • Chemistry(all)
  • Biomedical Engineering
  • Materials Science(all)
  • Condensed Matter Physics


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