Molecular Simulation Study of Dielectric Constants of Pure Fluids and Mixtures

Contributors:
  1. Maximilian Kohns

Date created: | Last Updated:

: DOI | ARK

Creating DOI. Please wait...

Create DOI

Category: Project

Description: The static dielectric constant of fluids is studied with molecular models from the literature. The employed molecular models were developed using only vapor-liquid equilibrium data. No information on the dielectric properties was used, so that the simulation results are predictions. A wide range of different fluids, from slightly to strongly polar, is investigated. Most of the studied models underestimate the dielectric constant, which can be explained by the way the models were developed. For the pure fluids dimethyl ether and acetone, the temperature and pressure dependence of the dielectric constant are also studied. A good agreement with experimental data is found. Additionally, binary mixtures are investigated. Thereby, the validity of several mixing rules for the dielectric constant is assessed.

License: CC-By Attribution 4.0 International

Files

Loading files...

Citation

Tags

Recent Activity

Loading logs...

OSF does not support the use of Internet Explorer. For optimal performance, please switch to another browser.
Accept
This website relies on cookies to help provide a better user experience. By clicking Accept or continuing to use the site, you agree. For more information, see our Privacy Policy and information on cookie use.
Accept
×

Start managing your projects on the OSF today.

Free and easy to use, the Open Science Framework supports the entire research lifecycle: planning, execution, reporting, archiving, and discovery.