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 co-workers 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 fop the average number of waters with exactly j hydrogen bonds are discussed. Also, the conflicting conclusions on the density of 4-bonded patches were re-examined and were found to be the result of using different water models in the conflicting studies.
| Original language | English |
|---|---|
| Pages (from-to) | 1003-1010 |
| Number of pages | 8 |
| Journal | Molecular Physics |
| Volume | 52 |
| Issue number | 4 |
| DOIs | |
| State | Published - Jul 1984 |
| Externally published | Yes |