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Non-equilibrium molecular dynamics simulation of the thermocapillary effect

✍ Scribed by Holger A. Maier; Philippe A. Bopp; Manfred J. Hampe


Book ID
112051950
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
517 KB
Volume
90
Category
Article
ISSN
0008-4034

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Non-equilibrium molecular dynamics simul
✍ A.D. Simmsons; P.T. Cummings πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 603 KB

We present a non-equilibrium molecular dynamics simulation of 125 methane molecules using a variant of the isokinetic "sllod" algorithm. The shear viscosity, pressure and internal energy of methane in a dense, supercritical fluid state (temperature 285.7 K and mass density 0.288 g/cm3) are calculate