A computer simulation study of the liquid-vapor coexistence curve of water

@inproceedings{Guissani1993ACS,
  title={A computer simulation study of the liquid-vapor coexistence curve of water},
  author={Yves Guissani and Bertrand Guillot},
  year={1993}
}
The liquid–vapor coexistence curve of a model water (the extended simple point charge model, SPCE) is evaluated by molecular dynamics simulation in the (N,V,E) ensemble. It is shown that the simulated system (N=256 water molecules) is too small to present a spinodal decomposition and, hence, can be described by a classical equation of state whose the critical parameters (Tc=651.7 K, ρc=0.326 g/cm3, and Pc=189 bar) are found to be very close to that of real water (Tc=647.13 K, ρc=0.322 g/cm3… CONTINUE READING

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