TIP4P/FQ model of water
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The TIP4P/FQ model
[edit] Parameters
| \(r_{\mathrm {OH}}\) (Å) | \(\angle\)HOH , deg | \(\sigma\) (Å) | \(\epsilon/k\) (K) | q(O) (e) | q(H) (e) | q(M) (e) | \(r_{\mathrm {OM}}\) (Å) |
| --- | --- | --- | --- | --- | --- | --- | --- |
[edit] Melting point
The Ice Ih-water melting point has been calculated to be \(303\pm 8~K\)
[edit] References
- ↑ Steven W. Rick, Steven J. Stuart, and B. J. Berne "Dynamical fluctuating charge force fields: Application to liquid water", Journal of Chemical Physics 101 pp. 6141-6156 (1994)
- ↑ Benjamin F. Nicholson, Paulette Clancy and Steven W. Rick "The interface response function and melting point of the prism interface of ice Ih using a fluctuating charge model (TIP4P-FQ)", Journal of Crystal Growth 293 pp. 78-85 (2006)
