Jump to main content
Jump to site search


Exploiting hydrophobicity and hydrophilicity in nanopores as a design principle for “smart” MOF microtanks for methane storage

Author affiliations

Abstract

Widespread use of methane-powered vehicles likely requires the development of efficient on-board methane storage systems. A novel concept for methane storage is the nanoporous microtank, which is based on a millimeter-sized nanoporous pellet (the core) surrounded by an ultrathin membrane (the shell). Mixture adsorption simulations in idealized pores indicate that by combining a pellet that features large, hydrophobic pores with a membrane featuring small, hydrophilic pores, it would be possible to trap a large amount of “pressurized” methane in the pellet while keeping the external pressure low. The methane would be trapped by sealing the surrounding membrane with the adsorption of a hydrophilic compound such as methanol. Additional simulations in over 2000 hypothesized metal–organic frameworks (MOFs) indicate that the above design concept could be exploited using real nanoporous materials. Structure–property relationships derived from these simulations indicate that MOFs suitable for the core (storing over 250 cc(STP)CH4 per cc) should have a pore size in the 12–14 Å range and linkers without appreciably hydrophilic moieties. On the other hand, MOFs suitable for the shell should have a pore size less than 9 Å and linkers with hydrophilic functional groups such as –CN, –NO2, –OH and –NH2. Simulation snapshots suggest that the hydrogen bonding between these groups and hydrophilic moieties of methanol would be critical for the sealing function.

Graphical abstract: Exploiting hydrophobicity and hydrophilicity in nanopores as a design principle for “smart” MOF microtanks for methane storage

Back to tab navigation

Supplementary files

Publication details

The article was received on 26 Jun 2019, accepted on 22 Jul 2019 and first published on 22 Jul 2019


Article type: Paper
DOI: 10.1039/C9ME00072K
Mol. Syst. Des. Eng., 2020, Advance Article

  •   Request permissions

    Exploiting hydrophobicity and hydrophilicity in nanopores as a design principle for “smart” MOF microtanks for methane storage

    R. Anderson, B. Seong, Z. Peterson, M. Stevanak, M. A. Carreon and D. A. Gómez-Gualdrón, Mol. Syst. Des. Eng., 2020, Advance Article , DOI: 10.1039/C9ME00072K

Search articles by author

Spotlight

Advertisements