Ethane

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Ethane

Ethane.

Models

The NERD parameters are:

Molecule
ethane 3.825 3.93 100.6 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].

Virial coefficients

The virial coefficients - as a function of temperature for the TraPPE-UA force field have been tabulated by Schultz and Kofke [2].

Surface tension

The surface tension has been calculated for the TraPPE and OPLS force fields [3] using the wandering interface method.

Liquid-vapour equilibria

The Liquid-vapour equilibria has been calculated for the TraPPE and OPLS force fields [3].

References