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Molecular dynamics investigation of the surface/bulk equilibrium in an ethanol?water solution

✍ Scribed by Tarek, Mounir; Tobias, Douglas J.; Klein, Michael L.

Book ID
121277101
Publisher
Royal Society of Chemistry
Year
1996
Tongue
English
Weight
975 KB
Volume
92
Category
Article
ISSN
0956-5000

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Molecular dynamics investigation of an e
Molecular dynamics investigation of an ethanol-water solution
✍ Mounir Tarek; Douglas J. Tobias; Michael L. Klein πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 263 KB

A molecular dynamics simulation of a 0.1 M ethanol-water solution with an air/solution interface was performed. Redistribution of ethanol molecules was observed during the simulation, which was initiated from a bulk solution. The results of the simulation show good agreement with surface tension mea