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Transport diffusivities of fluids in nanopores by non-equilibrium molecular dynamics simulation

✍ Scribed by Frentrup, Hendrik; Avendaño, Carlos; Horsch, Martin; Salih, Alaaeldin; Müller, Erich A.

Book ID
111882082
Publisher
Taylor and Francis Group
Year
2012
Tongue
English
Weight
315 KB
Volume
38
Category
Article
ISSN
0892-7022

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Non-equilibrium molecular dynamics simul
Non-equilibrium molecular dynamics simulation of dense fluid methane
✍ A.D. Simmsons; P.T. Cummings 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 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