Dresden 2014 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 62: Posters: Surface Reactions and Dynamics, Nanostructures
O 62.3: Poster
Mittwoch, 2. April 2014, 17:30–21:00, P1
Carbon Dioxide Adsorption in Charged and Uncharged Carbon Nanotube Arrays — •Mahshid Rahimi1, Jayant K. Singh2, and Florian Müller-Plathe1 — 1Technische Universität Darmstadt, Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Alarich-Weiss-Str. 4, D-64287 Darmstadt, Germany — 2Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur-208016, India
Grand-canonical Monte Carlo simulations is carried out to understand the adsorption of CO2, onto bundles of 3D aligned double-walled charged and uncharged carbon nanotubes of diameter 5 nm at 303 K. The simulation of partial adsorption isotherms, i.e. only inner tube volume, only interstices between tubes, and unrestricted, allow a breakdown of the experimental adsorption isotherms into contributions of different regions. The results for uncharged carbon nanotubes are compatible with microscopic observations of the majority of the inner tube volumes being accessible for CO2. Further, the unrestricted adsorption isotherm is quantitatively equivalent to the sum of inner and outer adsorption for the pressure range considered in this work, p< 40 bar, indicating no significant interference between inner and outer regions. The intertube distance, which is varied from 0 to 15 nm, dramatically affects the isosteric heat of adsorption and adsorption capacity. Excess adsorption is found to display a non-linear behavior with d, for unrestricted and outer cases.