A Monte Carlo simulation of a supersaturated sodium chloride solution
β Scribed by Michael G. Schwendinger; Bernd M. Rode
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 357 KB
- Volume
- 155
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
A simulation of a supersaturated sodium chloride solution with the Monte Carlo statistical thermodynamic method is reported. The water-water interactions are described by the Matsuoka-Clementi-Yoshimine (MCY) potential, while the ion-water potentials have been derived from ab initio calculations. Structural features of the solution have been evaluated, special interest being focused on possible precursors of nucleation.
π SIMILAR VOLUMES
An algorithm for efficient Monte Carlo simulation of a globular protein is proposed. The algorithm was developed by combining the smart Monte Carlo of Rossky et al. with the scaled-collective-variable Monte Carlo method of Noguti and Go. The results of the simulations demonstrated that the combined
Effusion of an ideal gas through a small orifice when a drifting gas exists past the orifice, as well as the reverse process, are investigated through extensive two-dimensional Monte Carlo simulations. It is found that a net transport of particles takes place toward the side containing the drifting