Grand canonical Monte Carlo simulation of double-layer capacity
โ Scribed by G.W. Herzog; H. Leitner
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 539 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0257-8972
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๐ 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
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