Separation of CO۲, N۲ and CH۴ in Gases M ixtures by Single-w alled Silicon Carbide Nano tubes: a GCMC Study

In the last years nanotube membrane pr ocesses due to their fascinating pr operties and their well-defined structures with h ollow nano-size interiors suggest their potenti al use as sor bents for gas adsorption and separation which a re gaining a larger acce ptance in in dustry and in the market [۱].As far as we conc ern, a large number of theoretical and experime ntal studies have been c arried out thus far on the adsorption/storage/separation of CO۲, N۲ and CH۴ on v arious carbo n nanotubes, single- or multi-walled, closed- or open-ended [۲], but sin gle-walled silicon carbide nanotube s (SWSiCNTs) have being considered rarely, to be characterized by these gases [۳]. Therefore in the present work, we evalu ate the storage/separation properties of SWSiCNTs by grand canonical Monte- Carlo (GC MC) compu ting for CO۲, N۲ and CH۴ adsorp tion. Very recently, Sun et al. h ave reported the synthe sis of silicon carbide (SiC) nanot ubes produc ed via the reaction of Si with c arbon nanotubes [۴]. Menon et al also investigated the structure and stability of variou s SiC nan otube stru ctures usin g the gener alized tight- binding molecular dynamics (GTB MD) scheme of Menon and Subbas wamy and a b initio methods [۴]. Th ey found the bond lengt hs of SiC nanotube is about ۱.۸۷ Å that is larger than bond length of boron nitride ( BNNT) nano tube (۱.۴۴ Å) and carbo n nanotube (۱.۴۲ Å). Th erefore, SiC NTs are pr edicted to h ave the faster rate gas p enetration through the w all of BNNT and CNT.

کلیدواژه ها:

Separation ، Adsor ption ، Storage ، GCMC Simulation ، SiC nanotu be.