**Exact thermodynamic equation of state**
Dear all,
I am using molecular dynamics to calculate energy for ionic liquid. In the article that is proposed equation of state that I want to use, the author would call the energy in the following formula(u) conformational(potential energy):
(du/dv)T + T(dp/dT)V = ptot
But the other article would call it total internal energy which means total energy in the thermodynamic system.
As you know MD can produce potential energy and total energy, which one should I use for the above formula?
Best
*
Last edited by Geraili; Oct 15th 2017 at 06:27 AM.
* |