Molecular Dynamics Simulations of NMR Relaxation and Diffusion of Bulk Hydrocarbons and Water

P. M. Singer, D. Asthagiri, W. G. Chapman +1

Molecular dynamics (MD) simulations are used to investigate ${}^1$H nuclear magnetic resonance (NMR) relaxation and diffusion of bulk $n$-C${}_5$H${}_{12}$ to $n$-C${}_{17}$H${}_{36}$ hydroc…