Diffusion under Confinement: Hydrodynamic Finite-Size Effects in Simulation
Diffusion under Confinement: Hydrodynamic Finite-Size Effects in Simulation
We investigate finite-size effects on diffusion in confined fluids using molecular dynamics simulations and hydrodynamic calculations. Specifically, we consider a Lennard-Jones fluid in slit pores without slip at the interface and show that the use of periodic boundary conditions in the directions along the surfaces results in dramatic finite-size effects, …