title: Diffusion of CO2 in Large Crystals of Cu-BTC MOF.
abstract: Carbon dioxide adsorption in metal-organic frameworks has been widely studied for applications in carbon capture and sequestration. A critical component that has been largely overlooked is the measurement of diffusion rates. This paper describes a new reproducible procedure to synthesize millimeter-scale Cu-BTC single crystals using concentrated reactants and an acetic acid modulator. Microscopic images, X-ray diffraction patterns, Brunauer-Emmett-Teller surface areas, and thermogravimetric analysis results all confirm the high quality of these Cu-BTC single crystals. The large crystal size aids in the accurate measurement of micropore diffusion coefficients. Concentration-swing frequency response performed at varying gas-phase concentrations gives diffusion coefficients that show very little dependence on the loading up to pressures of 0.1 bar. The measured micropore diffusion coefficient for CO2 in Cu-BTC is 1.7 × 10(-9) m(2)/s.
authors.affiliation: Department of Chemical and Biomolecular Engineering, Vanderbilt University , Nashville, Tennessee 37235, United States.
authors.forename: Trenton M
authors.initials: TM
authors.lastname: Tovar
authors.affiliation: Department of Chemical and Biomolecular Engineering, North Carolina State University , Raleigh, North Carolina 27695, United States.
authors.forename: Junjie
authors.initials: J
authors.lastname: Zhao
authors.affiliation: Department of Chemical and Biomolecular Engineering, North Carolina State University , Raleigh, North Carolina 27695, United States.
authors.forename: William T
authors.initials: WT
authors.lastname: Nunn
authors.affiliation: Department of Chemical and Biomolecular Engineering, North Carolina State University , Raleigh, North Carolina 27695, United States.
authors.forename: Heather F
authors.initials: HF
authors.lastname: Barton
authors.affiliation: Edgewood Chemical Biological Center, U.S. Army , Aberdeen Proving Ground, Maryland 21010, United States.
authors.forename: Gregory W
authors.initials: GW
authors.lastname: Peterson
authors.affiliation: Department of Chemical and Biomolecular Engineering, North Carolina State University , Raleigh, North Carolina 27695, United States.
authors.forename: Gregory N
authors.initials: GN
authors.lastname: Parsons
authors.affiliation: Department of Chemical and Biomolecular Engineering, Vanderbilt University , Nashville, Tennessee 37235, United States.
authors.forename: M Douglas
authors.initials: MD
authors.lastname: LeVan