SCPDP model of water

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The SCPDP model [1] is similar to the SPC model for water. It is polarisable, and has a permanent dipole moment of 1.85D.


Thee site water model.png
parameter value
\sigma  ---{\mathrm {\AA}}
\epsilon --- kJ mol-1
r_\mathrm{OH} 1.000\mathrm{\AA}
\angle_\mathrm{HOH} 109.5^{\circ}
q_{\mathrm{O}} ---- e
q_{\mathrm{H}} q_{\mathrm{O}}/2 (charge neutrality)

Vapour–liquid equilibrium[edit]