# TIP4P/2005 model of water

Revision as of 11:42, 21 May 2009 by Carl McBride (talk | contribs) (→References: Added a new reference.)

The **TIP4P/2005** model
^{[1]}
is a re-parameterisation of the original TIP4P potential for simulations of water.
TIP4P/2005 is a rigid planar model, having a similar geometry to the Bernal and Fowler model.

## Contents

## Parameters

(Å) | HOH , deg | (Å) | (K) | q(O) (e) | q(H) (e) | q(M) (e) | (Å) |

0.9572 | 104.52 | 3.1589 | 93.2 | 0 | 0.5564 | -2q(H) | 0.1546 |

## Phase diagram

The phase diagram of the TIP4P/2005 model is given in a publication by Abascal, Sanz and Vega.

#### Liquid-vapour equilibria

#### Plastic crystal phases

Recent simulations have suggested the possibility of a plastic crystal phase or phases for water.

## Surface tension

The surface tension has been studied for the TIP4P/2005 model by Vega and Miguel.

## Self-diffusion coefficient

The TIP4P/2005 potential has a self-diffusion coefficient, in bulk water at 298 K, of 0.21 Å^{2} ps^{−1} in a classical simulation of 216 water molecules (experimental value: 0.23 Å^{2} ps^{−1}).

## References

**Related reading**