[gmx-users] henry constant

Thomas Koller koller-thomas at gmx.de
Sun Feb 27 07:20:18 CET 2011


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 calculate the henry constant? Or is it not possible to calculate the henry-constant with this tool?

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