Hongjun's paper on molecular dynamics of [C4mim][Tf2N] is published in J. Chem. Phys


Hongjun Liu has published a paper reporting a detailed set of MD simulations geared toward understanding the structural and dynamic features of the ionic liquid [C4mim][Tf2N]. He provides a mechanistic explanation for the reason the larger cation diffuses faster than the smaller anion. Many other properties were computed, including viscosity, vibrational density of states, thermal conductivity, ionic conductivity and heat capacity. Read more about it by clicking here.

The paper was also featured on the J. Chem. Phys. "spotlight" page!

Edward Maginn 2014ed@nd.edu