Molecular–Dynamic Simulation of Mixed Water–Methanol Clusters: 1. Local Structure
✍ Scribed by E. N. Brodskaya
- Book ID
- 110274371
- Publisher
- Springer
- Year
- 2001
- Tongue
- English
- Weight
- 82 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1061-933X
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Molecular dynamics simulations have been performed for 8 methanol-water solutions using rigid and flexible potential models. The heat capacity, the radial distribution fbnctions and potential mean force obtained by MD simulations were compared to previous simuhuions and experimental results. Special
Here d is the distance between the equimolecular dividing Small clusters composed of 64, 94, 125, 190, 256, and 512 water surface with the radius R e and the surface of tension with molecules have been studied by molecular dynamics simulations radius R s , i.e., d Å R e 0 R s and, to be precise, R s