Abstract
The Wertheim theory of associated fluids, augmented to account for orientation-dependence, was applied to study the properties of Mercedes Benz model of water. It was shown that introduction of the orientation dependence yields better agreement with Monte Carlo computer simulations for the structure of pure water at all temperatures, and yields some improvement in some cases for the prediction of the thermodynamic properties.
| Original language | English |
|---|---|
| Pages (from-to) | 5516-5525 |
| Number of pages | 10 |
| Journal | Journal of Chemical Physics |
| Volume | 118 |
| Issue number | 12 |
| DOIs | |
| State | Published - Mar 22 2003 |
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