Vapor-liquid equilibria in five-site (TIP5P) models of water

@article{Lsal2004VaporliquidEI,
  title={Vapor-liquid equilibria in five-site (TIP5P) models of water},
  author={M. L{\'i}sal and I. Nezbeda and William R. Smith},
  journal={Journal of Physical Chemistry B},
  year={2004},
  volume={108},
  pages={7412-7414}
}
Using the Gibbs ensemble Monte Carlo simulations, we have determined vapor−liquid equilibria in a new, reparametrized five-site model (TIP5P−E) of water and compared them with the original TIP5P model of Mahoney and Jorgensen and TIP4P water. It is shown that for vapor−liquid equilibria properties, the new model provides only a marginal improvement over the original model and both models are considerably inferior to the TIP4P model. 
Limitations of the rigid planar nonpolarizable models of water.
Molecular simulation of the salting out effect in the system H2S-H2O-NaCl.
Simulating water with rigid non-polarizable models: a general perspective.
...
1
2
3
...

References

SHOWING 1-2 OF 2 REFERENCES