TIP4P model of water
The TIP4P model [1] is a rigid planar four-site interaction potential for water, having a similar geometry to the original Bernal and Fowler model.
Parameters
(Å) | HOH , deg | (Å) | (K) | q(O) (e) | q(H) (e) | q(M) (e) | (Å) |
0.9572 | 104.52 | 3.154 | 78.0 | 0 | 0.52 | -2q(H) | 0.15 |
Phase diagram
Plastic crystal phases
Recent simulations have demonstrated the existence of plastic crystal phases for the TIP4P model.
Shear viscosity
The shear viscosity for the TIP4P model is 0.494 mPa.s at 298 K and 1 bar [2] (experimental value 0.896 mPa.s [3]).
See also
The following is a list of empirical models that build upon this TIP4P model:
- TIP4F
- TIP4P
- TIP4P/2005
- TIP4P-Ew
- TIP4P/FQ
- TIP4P-HB
- TIP4P/Ice
- TIP4P-pol
- TIP4PQ/2005
- TIP4P-QDP
- TIP4P-QDP-LJ
References
- ↑ William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger W. Impey and Michael L. Klein "Comparison of simple potential functions for simulating liquid water", Journal of Chemical Physics 79 pp. 926-935 (1983)
- ↑ Miguel Angel González and José L. F. Abascal "The shear viscosity of rigid water models", Journal of Chemical Physics 132 096101 (2010)
- ↑ Kenneth R. Harris and Lawrence A. Woolf "Temperature and Volume Dependence of the Viscosity of Water and Heavy Water at Low Temperatures", Journal of Chemical & Engineering Data 49 pp. 1064-1069 (2004)