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Title: Computing Pressure exerted by fluid between surfaces
Post by: shivanand on August 28, 2019, 11:44:29 AM

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,
Shivanand

Title: Re: Computing Pressure exerted by fluid between surfaces
Post by: David Dubbeldam on August 31, 2019, 07:32:41 PM

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

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RASPA => Input files and parameters => Topic started by: shivanand on August 28, 2019, 11:44:29 AM