Does anyone know of potentials for Potassium stearate

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1

Hi dear LAMMPS users,

I’m going to study a system including Potassium stearate and metal Fe in order to simulate the process of the Potassium stearate adsorption on substrate. But I don’t know what is the potential function for the Potassium stearate.

Thanks for your advisement

2

Can you find one in the Literature? It does not seem to be a complicated structure so I believe a number of potential function can be suitable, e.g., OPLS-AA, CVFF, PCFF, etc. Search the literature or do some googling.

Ray