TIP4PQ T2O model of water

The TIP4PQ_T2O model is a re-parameterisation of the TIP4PQ/2005 potential for quantum path integral simulations of T₂O.

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)
0.9512	104.52	3.1589	93.2	0	0.5764	-2q(H)	0.1536

Melting point

The melting point is situated at 263.5 K.

Density maximum

The TIP4PQ/2005 model has a density maximum in the liquid phase at 291K.