Quantifying the Effect of Spatial Confinement on the Diffusion and Nuclear Magnetic Resonance Relaxation of Water/Hydrocarbon Mixtures : A Molecular Dynamics Simulation Study
We implement molecular dynamics (MD) simulations to explore the relaxation mechanisms involved in the description of translational diffusion and rotational dynamics in water/hydrocarbon interfaces. The analysis of density profiles, self-diffusion coefficients, and nuclear magnetic resonance (NMR) re...
Ausführliche Beschreibung