Abstract
A recent conjecture that the anomalous properties of supercooled water can be attributed in part to density fluctuations correlated with the degree of hydrogen bonding is examined. The results of a molecular dynamics simulation of the MCY-CI model of water at — 22°C fail to provide any support for the proposed relationship between the local density and the number of hydrogen bonds associated with each water molecule. Voronoi polyhedra are employed in the definition of local density.
| Original language | English |
|---|---|
| Pages (from-to) | 23-31 |
| Number of pages | 9 |
| Journal | Molecular Physics |
| Volume | 48 |
| Issue number | 1 |
| DOIs | |
| State | Published - Jan 1983 |
Bibliographical note
Funding Information:This work was begun during an extended visit to Cornelt University. The author would like to thank Professor H. A. Scheraga for his generous hospitality. The work was supported in part by grants from the NSF(PCM79-20279) and NIH(GM-14312). Professor H. E. Stanley is thanked for a useful discussion.
Funding
This work was begun during an extended visit to Cornelt University. The author would like to thank Professor H. A. Scheraga for his generous hospitality. The work was supported in part by grants from the NSF(PCM79-20279) and NIH(GM-14312). Professor H. E. Stanley is thanked for a useful discussion.
| Funders | Funder number |
|---|---|
| National Science Foundation |