[gmx-users] Excess Heat of mixing

[AMNINDER SINGH]

Dear People,

I am trying to calculate heat of mixing of two solvents using inter molecular energies.

I have calculated heat of vaporization of both solvents in pure form and results are in agreement with  experimental and theoretical data.

But, I can't find a right equation to calculate heat of mixing.

Any help will be highly appreciated.

Thanks.

Kind regards.
Amninder Virk