We study the monatomic water model of Molinero and Moore the grand canonical ensemble Monte Carlo simulation. Measurements of the probability distribution of the number density obtained via multicanonical sampling and histogram reweighting provide accurate estimates of the temperature dependence of both the liquid-vapor coexistence densities and the surface tension. Using finite-size scaling methods, we locate the liquid-vapor critical point at Tc = 917.6 K, ρc = 0.311 g cm-3. When plotted in scaled variables, in order to test the law of corresponding states, the coexistence curve of monatomic water is close to that of real water. In this respect, it performs better than extended simple point charge (SPC/E), TIP4P, and TIP4P/2005 water.
|Number of pages||7|
|Journal||Journal of Chemical Physics|
|Publication status||Published - 19 Apr 2022|
Bibliographical noteFunding Information:
This work used the facilities of the Advanced Computing Research Centre, University of Bristol. We thank F. Turci and J. Russo for valuable discussions. R.E. acknowledges Leverhulme Trust Grant No. EM-2020-029\4.
© 2022 Author(s).