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dc.contributor.authorKowalczyk, Poitr
dc.contributor.authorHolyst, R.
dc.date.accessioned2017-01-30T13:20:18Z
dc.date.available2017-01-30T13:20:18Z
dc.date.created2014-10-08T02:29:20Z
dc.date.issued2008
dc.identifier.citationKowalczyk, P. and Holyst, R. 2008. Efficient Adsorption of Super Greenhouse Gas (Tetrafluoromethane) in Carbon Nanotubes. Environmental Science and Technology. 42 (8): pp. 2931-2936.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/30550
dc.description.abstract

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.

dc.publisherAmerican Chemical Society
dc.titleEfficient Adsorption of Super Greenhouse Gas (Tetrafluoromethane) in Carbon Nanotubes
dc.typeJournal Article
dcterms.source.volume42
dcterms.source.number8
dcterms.source.startPage2931
dcterms.source.endPage2936
dcterms.source.issn0013936X
dcterms.source.titleEnvironmental Science and Technology
curtin.accessStatusFulltext not available


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