Regensburg 2010 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 44: Liquids and Ionic Liquids

CPP 44.2: Vortrag

Donnerstag, 25. März 2010, 10:00–10:15, H45

Determining the dielectric constant of ionic liquids from computer simulations — •Axel Arnold — ICP, Universität Stuttgart

We present a new method to reliably calculate the static dielectric constant of charged liquid matter from radial distribution functions, as they can be obtained for example from Monte Carlo or Molecular dynamics simulations. We also explain why a direct measurement of the Kirkwood factor of ionic liquids under periodic boundary conditions cannot generate physically meaningful results.