Author Topic: Computing Pressure exerted by fluid between surfaces  (Read 201 times)

shivanand

  • Newbie
  • *
  • Posts: 3
    • View Profile
Computing Pressure exerted by fluid between surfaces
« on: August 28, 2019, 10:44:29 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
« Last Edit: August 28, 2019, 07:35:15 PM by shivanand »

David Dubbeldam

  • Jr. Member
  • **
  • Posts: 87
    • View Profile
Re: Computing Pressure exerted by fluid between surfaces
« Reply #1 on: August 31, 2019, 06:32:41 PM »
You could add your way of computing the pressure in the source code, or modify the implemented calculation of the pressure.