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Diffusion and viscosity equations of state for a Lennard-Jones fluid obtained from molecular dynamics simulations

✍ Scribed by R. L. Rowley; M. M. Painter

Book ID
110561663
Publisher
Springer
Year
1997
Tongue
English
Weight
513 KB
Volume
18
Category
Article
ISSN
0195-928X

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Test of a Fokker-Planck-Kramers equation
Test of a Fokker-Planck-Kramers equation treatment for short-time dynamics of diffusion-controlled reactions by molecular dynamics simulation in Lennard-Jones fluids
✍ Kazuyasu Ibuki; Masakatsu Ueno πŸ“‚ Article πŸ“… 2001 πŸ› Elsevier Science 🌐 English βš– 583 KB

We test the extended Harris (EXH) theory for the dynamics of diffusion-controlled reactions using the molecular dynamics simulations in Lennard-Jones fluids. The FXH theory is based on the Fokker-Plan&Kramers equation in which the inertia effect on the molecular migration is taken into account. The