title: Tuning the gate opening pressure of Metal-Organic Frameworks (MOFs) for the selective separation of hydrocarbons.
abstract: Separation of hydrocarbons is one of the most energy demanding processes. The need to develop materials for the selective adsorption of hydrocarbons, under reasonable conditions, is therefore of paramount importance. This work unveils unexpected hydrocarbon selectivity in a flexible Metal-Organic Framework (MOF), based on differences in their gate opening pressure. We show selectivity dependence on both chain length and specific framework-gas interaction. By combining Raman spectroscopy and theoretical van der Waals Density Functional (vdW-DF) calculations, the separation mechanisms governing this unexpected gate-opening behavior are revealed.
authors.affiliation: Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, Texas 75080, USA.
authors.forename: Nour
authors.initials: N
authors.lastname: Nijem
authors.forename: Haohan
authors.initials: H
authors.lastname: Wu
authors.forename: Pieremanuele
authors.initials: P
authors.lastname: Canepa
authors.forename: Anne
authors.initials: A
authors.lastname: Marti
authors.forename: Kenneth J
authors.initials: KJ
authors.lastname: Balkus
authors.forename: Timo
authors.initials: T
authors.lastname: Thonhauser
authors.forename: Jing
authors.initials: J
authors.lastname: Li
authors.forename: Yves J
authors.initials: YJ
authors.lastname: Chabal
mesh_terms: D000327:Adsorption; D006838:Hydrocarbons / Q000302:isolation & purification*; D008670:Metals / Q000737:chemistry*; D009930:Organic Chemicals / Q000737:chemistry*; D013059:Spectrum Analysis, Raman
chemical_list: D006838:Hydrocarbons; D008670:Metals; D009930:Organic Chemicals