How can a mineral water system be represented by the presence of carbonate and bicarbonate ions using LAMMPS?

11 November 2017 1 320 Report

I am trying to use the simulation program (LAMMPS) to represent the mineral water system (water and calcium chloride) in alkaline conditions. This water system will then be introduced to a certain rate of bicarbonate or carbonate ion to study calcium carbonate deposition properties under different thermal conditions. There are a lot of data that contribute to building this code, which I would like to know so that I can build it. I ask for the advice to create and build the code of that system.

Gert Nolze

If you are really interested in a helpful answer (and that anyone shares HIS work, the HIS invested lifetime with you), you should spend MUCH more time to describe the task you are planning to do. A simply note: I need code... will never inspire someone to help you. Would you help yourself?

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