Dear All
How can I calculate dielectric constant of mixture of solvents for computation purposes?
I am going to use G09 package but I don't know how to use Onsager method in this regard.
Thank you so much
The onsager solvation model has completely out-of-date. You should use more advanced solvation model in practical studies, such as IEFPCM.
When mixed solvent is needed to be employed, you should manually define its dielectric constant, which should be evaluated according to the ratio of volume of the pure solvents based on their dielectric constants. To custmoize the dielectric constant, you should specify "scrf=read" keyword, and write "eps=xxx" after a blank line at the end of the input file.
For the Onsager formalism, consult the original publication [1]. For a relatively recent analysis of this formalism, and its range of validity, consult [2] (see in particular the discussions centred on Eq. (29) herein).
[1] L Onsager, Electric Moments of Molecules in Liquids, J. Am. Chem. Soc. 58, 1486 (1936).
Article Electric Moments of Molecules in Liquids
[2] M Valiskó, and D Boda, Condensed Matter Physics 8, 357 (2005).
http://www.icmp.lviv.ua/journal/zbirnyk.42/011/art11.pdf
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