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Molecular Dynamics Simulation of Water Near Nanostructured Hydrophobic Surfaces: Interfacial Energies

✍ Scribed by Sandeep Pal; Danilo Roccatano; Horst Weiss; Harald Keller; Florian Müller-Plathe


Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
630 KB
Volume
6
Category
Article
ISSN
1439-4235

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Interfacial Excess Free Energies of Soli
✍ Frédéric Leroy; Daniel J. V. A. dos Santos; Florian Müller-Plathe 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 244 KB

## Abstract A method to compute the interfacial excess free energy of systems where a liquid phase is interacting with a solid phase is presented. The calculations are carried out by means of molecular dynamics simulations. The algorithm is based on a thermodynamic integration scheme that reversibl