Hi,

I have used the Amorphous Cell module for determination of the solubility parameters, and it works well, I think.

But, for some materials of which electrostatic interaction is dominant, I've got some strange results.

I thought that total solubility parameter should be equal to the square root of (δ_vdW ^2 + δ_es ^2), and in most cases it is right.

For water, however, they are not the same; see below.

-------------------

1) ethanol

   Average         Std. Dev.

    Average     Std. Dev.

    -------     ---------

Cohesive Energy Density (J/m^3) : 1.84406e+009 1.81845e+008

Solubility Parameter ((J/cm^3)^0.5) :      42.8885      2.15347

- Electrostatic ((J/cm^3)^0.5) :      47.9448      2.54832

- van der Waals ((J/cm^3)^0.5) :            0            0

---------------------------

How to understand the result above?

And why it occurs?

Thanks,

Kunsil