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Nanotribology of Confined Water by Quasistatic Computer Simulations: Effect of Impurities

✍ Scribed by Alexander Pertsin; Michael Grunze


Publisher
Springer US
Year
2010
Tongue
English
Weight
426 KB
Volume
40
Category
Article
ISSN
1023-8883

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✍ Luiz Carlos Gomide Freitas; JoΓ£o Manuel Marques Cordeiro; FΓ‘bio Luiz Laurenti Ga πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 893 KB

Monte Carlo simulation results for pure liquid acetone and water-acetone mixtures calculated in the isothermal and isobaric (NPT) ensemble at T=298K and p=l.0atm are presented. The TIP4P model was used for water and optimized potential for liquid simulation (OPLS) force field parameters used for ace