[gmx-users] How to calculate lateral pressure for monolayer compression or expansion

[Sriprajak Krongsuk]

Dear Users,

As I want to simulate surfactant monolayer with different molecular area in
order to reproduce the LB experiment (isotherm plot). So I have to fix a
number of surfactant molecules but only surface area is changed by applying
the lateral pressure. However, I don't know how to calculate the lateral
pressure for the monolayer compression or expansion. Could anyone please
suggest me how to do this?

 

Thank you            

 

Dr. Sriprajak Krongsuk

Physics Department, Faculty of Science

Khon Kaen University, Thailand

Tel. (Mobile) 081-2630095

 

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