𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A new simulation method for the grand canonical ensemble

✍ Scribed by K.S. Shing; S.R. Azadipour

Book ID
107736464
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
257 KB
Volume
190
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

A new simulation method for the determin
A new simulation method for the determination of the vapour-liquid equilibria in the grand canonical ensemble
✍ DezsΓ³ Boda; JΓ‘nos Liszi; IstvΓ‘n Szalai πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 582 KB

A new simulation method is introduced for the determination of the vapour-liquid phase separation of pure fluids in the grand canonical ensemble. It is based on the third-order Taylor series of the pressure with respect to the reciprocal temperature term ([3 = 1/kT) and the configurational chemical

Molecular dynamics simulation in the gra
Molecular dynamics simulation in the grand canonical ensemble
✍ Hossein Eslami; Florian MΓΌller-Plathe πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 264 KB

## Abstract An extended system Hamiltonian is proposed to perform molecular dynamics (MD) simulation in the grand canonical ensemble. The Hamiltonian is similar to the one proposed by Lynch and Pettitt (Lynch and Pettitt, J Chem Phys 1997, 107, 8594), which consists of the kinetic and potential ene

Size-effects on simulations in the grand
Size-effects on simulations in the grand canonical ensemble
✍ Neville G. Parsonage πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 452 KB

Results are presented for the effect of periodic boundary conditions on predictions made using the grand canonical ensemble for systems of limited size. A Monte Carlo study of a realistic gas-solid adsorption model and an exact study of the Tonks gas both show that it is necessary for the minor dime