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.