Hi everybody,
I have a small solid cluster, I need to insert it into a liquid system and let the system be equilibrated, and after the cluster is dissolved in the liquid, force it to get its original solid structure at the end!
I need to do this at a special temperature and pressure.
Sort of dissolution and nucleation process at an arbitrary thermodynamic condition.
Do you know how I can do it by LAMMPS?!
It is impossible for me to make sense of what you are describing and asking.
First of all, it seems you are confusing the terms “dissolution” and “solvation”.
But I am completely lost on what this has to do with “nucleation” and what is the purpose of “force it to get its original solid structure at the end!” and what you want to learn from that.
Thus please elaborate and explain with more details and perhaps some schematics or references to publications describing the process you want to model.
Dear Axel,
Thanks for your reply!
Yes, It is my bad, what I mean is solvation.
I need to analyze the energy difference of solvation of a solid cluster in liquid as well as its nucleation process!
But the important thing is I want to do these analyzes under different thermodynamic conditions that maybe are not appropriate for the nucleation or solvation process.
Sorry, I still don’t understand what your project is and thus cannot provide any suggestion.
OK, That’s understandable.
I need to know If some special molecular arrangement inside of its liquid phase is possible to exist or not?!