Comparison of the percolation model with the computer simulation results on different water models
Abstract: The predictions of the connectivity properties of the hydrogen-bonded networks in liquid water based on the percolation model proposed by H.E. Stanley and coworkers has been compared with Monte Carlo computer simulations using the ST2 and MCY potentials at different temperatures. The comparison is based on a geometric hydrogen-bond definition. Reasons for the good agreement found for the average number of waters with exactly j hydrogen bonds are discussed. Also, the conflicting conclusions on the density of 4-bonded patches were reexamined and were found to be the result of using different water models in conflicting studies.