Computing Pressure exerted by fluid between surfaces

Started by shivanand, August 28, 2019, 11:44:29 AM

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Hello Prof. David Dubbeldam,

I'm doing GCMC of hexane between two gas hydrate surfaces fixed at a distance. I want to compute the Disjoining pressure here. For that, I need to compute the pressure exerted by hexane on the solid surfaces. Is it possible to compute pressure exerted by hexane in the direction normal to the surfaces?

Thank you,

David Dubbeldam

You could add your way of computing the pressure in the source code, or modify the implemented calculation of the pressure.