# Difference between revisions of "Ethane"

  200 lightgrey Ethane.pdb  Ethane

Ethane.

## Models

The NERD parameters are:

 Molecule $\sigma_{\mathrm {CH}_3}$ $\sigma_{\mathrm {CH}_2}$ $\epsilon_{\mathrm {CH}_3}$ $\epsilon_{\mathrm {CH}_2}$ ethane 3.825 $\mathrm{\AA}$ 3.93 $\mathrm{\AA}$ 100.6 K

## Critical properties

The pressure, temperature and density at the critical point have been calculated for a virial equation of state using the TraPPE-UA force field, and are given in Table I of [1].