Dear LAMMPS Community,
I want to calculate the interfacial tension (IFT) of the following hydrogen−brine system (Figure 2). I also want to use the following Kirkwood-Buff relation (1) to calculate it.
1) Is it possible to calculate the IFT of the system by LAMMPS?
2) Is it possible to create a Hydrogen-Brine System in LAMMPS, or do I need to use another software?
Please write here if you have any suggestions or know of any relevant resources to help me answer my questions.
Thanks
Durjoy