Tuning the Gate Opening Pressure of Metal Organic Frameworks (MOFs) for the Selective Separation of Hydro-carbons

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. Combining Raman spectroscopy and theoretical van der Waals Density Functional (vdW-DF) calculations, the separation mechanisms governing this unexpected gate opening behavior are revealed.

Cited by in corpus (6)

• van der Waals forces in density functional theory: The vdW-DF method
• Study of van der Waals bonding and interactions in metal organic framework materials
• Structural, elastic, thermal, and electronic response of small-molecule-loaded metal organic framework materials
• NMR study of small molecule adsorption in MOF-74-Mg
• Cluster Assisted Water Dissociation Mechanism in MOF-74 and Controlling it Using Helium
• Chemistry in confined spaces: Reactivity of the Zn-MOF-74 channels