Transport in nanotubes

LAMMPS LAMMPS Beginners
1

Dear LAMMPS community,

I am new to the fascinating LAMMPS software. I am wondering if there are open-source codes for modeling different transport properties, such as viscosity and diffusion of gas and liquid in carbon nanotubes, and nanochannels in general. I am trying to learn more about the LAMMPS and nanofluidics by analyzing the effects of different parameters (tube size, molecules, etc). Thank you very much for your help and for sharing your knowledge.

Best regards,
Alex

2

Hi Alex,
You can have a look at this Github repository, it contains a few LAMMPS scripts on confined water systems (its my main topic of research).
Best,
Simon

2 Likes
3

Hi Simon,

Thank you very much for sharing these file. I really appreciate your help.

Best regards,
Alex