Grand canonical Monte Carlo simulation of hydrogen physisorption in single-walled boron nitride nanotubes
β Scribed by Jinrong Cheng; Libo Zhang; Rui Ding; Zhenfeng Ding; Xiao Wang; Zhi Wang
- Book ID
- 108142990
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 585 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0360-3199
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We revealed the arrangement of single-wall carbon nanotube (SWNT) which is suitable for the adsorption of hydrogen by means of grand canonical Monte Carlo (GCMC) simulation with simple cylindrical model. Here, we calculated the amount of adsorbed hydrogen with triangular lattice (TL) and square latt
## Abstract Adsorption of pure and mixtures of O~2~ and N~2~ on isolated singleβwalled carbon nanotube (SWCNT) have been investigated at the subcritical (77 K) and different supercritical (273, 293, and 313K) temperatures for the pressure range between 1 and 31 MPa using (N,V,T) Monte Carlo simulat