Add hydrogen ion or OH ion in solution

Submitted by xiongmao7025 on Tue, 10/22/2013 - 22:19

Does anybody know if I can add hydrogen ion or hydroxide ion in solution to simulate the pH effect on the surface charge of the mineral surface? Thanks

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ckloss's picture

ckloss | Wed, 10/30/2013 - 10:26

Hi xiongmao7025,

I would recommend to ask this question to the LAMMPS user community (just google "LAMMPS mailing list"). LIGGGHTS is focused on modelling granular materials and I am afraid you won't get competent help here for your problem

Cheers
Christoph