[gmx-users] henry constant

Thomas Koller koller-thomas at gmx.de
Thu Feb 24 21:18:09 CET 2011


Hello,

I want to calculate the henry constant for a soluble gas in a solvent. For that, I use the tool -fee in g_energy to get deltaG. Is that the excess chemical potential, with which I can claculate the henry constant?

Regards,
Thomas
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