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Structure and Dynamics of Surfactant and Hydrocarbon Aggregates on Graphite: A Molecular Dynamics Simulation Study

✍ Scribed by Sammalkorpi, Maria; Panagiotopoulos, Athanassios Z.; Haataja, Mikko

Book ID
120374541
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
442 KB
Volume
112
Category
Article
ISSN
0022-3654

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Structure and dynamics of waterβ€”molecula
Structure and dynamics of waterβ€”molecular dynamics study
✍ M. SokΓ³Ε‚; A. Dawid; Z. Dendzik; Z. Gburski πŸ“‚ Article πŸ“… 2004 πŸ› Elsevier Science 🌐 English βš– 248 KB

We carried out NPT ensemble classical molecular dynamics simulation of water in solid, liquid and gaseous state. The simulations were performed for two density cases-normal (r ΒΌ 1 g/cm 3 ) and lowered density (r ΒΌ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami