TIP4P/Ice model of water
The TIP4P/ice model is a re-parameterisation of the original TIP4P potential for simulations of ice phases. TIP4P/ice is a rigid planar model, having a similar geometry to the Bernal and Fowler (BF) model.
Parameters
| r (OH) (Å) | Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \angle} HOH , deg | Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \sigma} (Å) | Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon/k} (K) | q(O) (e) | q(H) (e) | q(M) (e) | r (OM) (Å) |
| 0.9572 | 104.52 | 3.1668 | 106.1 | 0 | 0.5897 | -2q(H) | 0.1577 |
References
- L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, 122 234511 (2005)
- C. Vega, J. L. F. Abascal and I. Nezbeda, "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice", Journal of Chemical Physics, 125 034503 (2006)