Abstract
Gibbs ensemble Monte Carlo simulations were carried out to calculate the vapor–liquid coexistence densities (binodal curves) for two potential models of water, five-site transferable interaction potential (TIP5P) and four-site Dang–Chang potential. Both models were devised to improve a widely used water model—the four-site TIP4P model of water. Compared with the critical temperature of the TIP4P model (579 K), we found that the critical temperature of the TIP5P model (546 K) deviates further from experimental value (647 K). That of the Dang–Chang model (590 K), however, is in better agreement with the experiments.
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