[lammps-users] Looking for a Replacement for CEOS

Hi,

I was wondering if anyone has used lammps or a similar MD simulation as a replacement to cubic equations of state especially where mixtures are concerned. I currently have some problems which involve liquid to gas, gas to supercritical fluid of mixtures of CO2, N2O, C2H6, Xe, C3H8, etc. Currently Cubic equation of state software that I have cannot estimate the mixing parameters of some of these problems, does anyone know if there is a MD tool that can effectively be used in place of a CEOS like Redlich Kwong, for pressure, temperature and density data?

Ellis Warner

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