The adsorption of a series of aromatics in ITQ-1: grand canonical Monte Carlo simulations
โ Scribed by Tingjun Hou; Lili Zhu; Xiaojie Xu
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 397 KB
- Volume
- 171
- Category
- Article
- ISSN
- 1381-1169
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In this article the Taylor-expansion method is introduced by which Monte Carlo ( \(\mathrm{MC}\) ) simulations in the canonical ensemble can be speeded up significantly. Substantial gains in computational speed of \(20-40 \%\) over conventional implementations of the \(M C\) technique are obtained o
## Adsorption isotherms of N, by slit-shaped graphitic micropores at 77 K were simulated using grand canonical Monte Carlo (GCMC) simulation and compared the simulated isotherms with experimental adsorption isotherms of Nz on pitch-based activated carbon fibers. The pore was modeled as the slit sp