Recent vapour pressure equations for the Lennard-Jones fluid based on molecular simulations

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 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 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