Adsorption and molecular siting of CO₂, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation.

ABSTRACT: FMOF-1 is a flexible, superhydrophobic metal-organic framework with a network of channels and side pockets decorated with -CF₃ groups. CO₂ adsorption isotherms measured between 278 and 313 K and up to 55 bar reveal a maximum uptake of ca. 6.16 mol kg^-1 (11.0 mol L^-1) and unusual isotherm shapes at the higher temperatures, suggesting framework expansion. We used neutron diffraction and molecular simulations to investigate the framework expansion behaviour and the accessibility of the small pockets to N₂, O₂, and CO₂. Neutron diffraction in situ experiments on the crystalline powder show that CO₂ molecules are favourably adsorbed at three distinct adsorption sites in the large channels of FM

SUBMITTER: Moghadam PZ 

PROVIDER: S-EPMC5433493 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature