Molecular dynamics simulation of the kinetics of nucleation of supercooled NaCl melt clusters
β Scribed by Yu. G. Bushuev; S. V. Davletbaeva
- Book ID
- 110184480
- Publisher
- International Academic Publishing Co (Nauka/Interperiodica)
- Year
- 2009
- Tongue
- English
- Weight
- 370 KB
- Volume
- 83
- Category
- Article
- ISSN
- 0036-0244
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π SIMILAR VOLUMES
Nucleation of NaCl was reproduced by using molecular dynamics simulation. We carried out MD simulations in the 13β824 ion system under the free boundary condition. Critical nucleus size, nucleation time lag, and nucleation rate were directly estimated from simulation results without using nucleation
## Abstract Molecular dynamics computer simulation based on the BornβMayerβHuggins potential function has been carried out to study the effects of cluster size and temperature on the nucleation rate of sodium chloride clusters in the temperature range of 580 K to 630 K. Clusters with 256 and 500 Na