TIP4P-Ew model of water

The TIP4P-Ew water model is a re-parameterisation of the standard TIP4P model for use with Ewald techniques .

Parameters

These parameters are taken from Ref. 1 Table I:

$r_{\mathrm {OH} }$ (Å)	$\angle$HOH , deg	$\sigma$ (Å)	$\epsilon$ (kcal.mol-1)	q(O) (e)	q(H) (e)	q(M) (e)	$r_{\mathrm {OM} }$ (Å)
0.9572	104.52	3.16435	0.162750	0	0.52422	-2q(H)	0.1250

Liquid-vapour equilibria

• 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)