[lammps-users] specific surface area with lammps?

Hi all,

i am trying to simulate CO2 and N2 adsorption by CNT with lammps. I computed binding energies and isosteric heat with the help of lammps. I need now to find the specific surface area of CO2 and fractional coverage. Is there any way to do it ? I was able to find that for argon is 13.2 A^2 but for the others nothing. Should i look somewhere or this can be done through lammps and with a postprocessing source code?


These sound like post-processing tasks to me.