Efficient Adsorption of Super Greenhouse Gas (Tetrafluoromethane) in Carbon Nanotubes
MetadataShow full item record
Light membranes composed of single-walled carbon nanotubes(SWNTs) can serve as efficient nanoscale vessels forencapsulation of tetrafluoromethane at 300 K and operatingexternal pressure of 1 bar. We use grand canonical Monte Carlosimulation for modeling of CF4 encapsulation at 300 K andpressures up to 2 bar. We find that the amount of adsorbedCF4 strongly depends on the pore size in nanotubes; at 1 bar themost efficient nanotubes for volumetric storage have size R)0.68nm.This size corresponds to the (10,10) armchair nanotubesproduced nowadays in large quantities. For mass storage(i.e., weight %) the most efficient nanotubes have size R )1.02 nm corresponding to (15,15) armchair nanotubes. They arebetter adsorbents than currently used activated carbons andzeolites, reaching˜2.4molkg-1 ofCF4,whereas,the best activatedcarbon Carbosieve G molecular sieve can adsorb 1.7 molkg-1 of CF4 at 300 K and 1 bar. We demonstrate that the highenthalpy of adsorption cannot be used as an only measureof storage efficiency. The optimal balance between the bindingenergy (i.e., enthalpy of adsorption) and space available forthe accommodation of molecules (i.e., presence of inaccessiblepore volume) is a key for encapsulation of van der Wallsmolecules. Our systematic computational study gives the cleardirection in the timely problem of control emission of CF4 andother perfluorocarbons into atmosphere.
Showing items related by title, author, creator and subject.
Optimal Single-Walled Carbon Nanotube Vessels for Short-Term Reversible Storage of Carbon Dioxide at Ambient TemperaturesKowalczyk, Piotr; Furmaniak, S.; Gauden, P.; Terzyk, A. (2010)Optimized light vessels composed of single-walled carbon nanotubes have high gravimetric and volumetric capacity for short-term reversible storage of CO2 at 298 K and near-ambient operating pressures. We use grand canonical ...
Cryogenic Separation of Hydrogen Isotopes in Single-Walled Carbon and Boron-Nitride Nanotubes: Insight into the Mechanism of Equilibrium Quantum Sieving in Quasi-One-Dimensional PoresKowalczyk, Piotr; Gauden, P.; Terzyk, A. (2008)Quasi-one-dimensional cylindrical pores of single-walled boron nitride and carbon nanotubes efficiently differentiate adsorbed hydrogen isotopes at 33 K. Extensive path integral Monte Carlo simulations revealed that the ...
Photoeletrocatalytic activity of a Cu <inf>2</inf>O-loaded self-organized highly oriented TiO <inf>2</inf> nanotube array electrode for 4-chlorophenol degradationHou, Y.; Li, Xin Yong; Zou, X.; Quan, X.; Chen, G. (2009)Differently sized Cu 2O nanoparticles have been assembled photocatalytically on the surface of self-organized highly oriented TiO 2 nanotubes obtained by anodization of a Ti sheet in fluoride- containing electrolytes. ...