The Grand Canonical Ensemble Monte Carlo Simulation of Nitrogen on Graphite
β Scribed by Bottani, E. J.; Bakaev, V. A.
- Book ID
- 120566415
- Publisher
- American Chemical Society
- Year
- 1994
- Tongue
- English
- Weight
- 762 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0743-7463
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π SIMILAR VOLUMES
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
The Fourier path integral formalism was implemented in the grand canonical ensemble and applied to a two-dimensional Lennard-Jones fluid, which is used to model a quantum monolayer. The method was employed to obtain the variation in the density of the monolayer as a function of chemical activity at
## 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