From methanol to 1-nonanol: Chain length effects on dielectric relaxation and dipolar correlations in linear alcohols.
The dielectric properties of a series of alcohols, from methanol to 1nonanol, were studied using molecular dynamics simulations. Three commonly used force elds, the united atom OPLS and TraPPE and the all atom CHARMM, were employed to calculate the static dielectric constant, Kirkwood correlation factor, collective and...