To calculate enthalpy of adsorption

Dear All,
  I am new to Lammps.I want to calculate enthalpy of adsorption of
hydrocarbons on clay. Can it be done using Lammps directly. I would
appreciate any comment.


I hoped someone else would answer this. While
LAMMPS can perform a simulation where adsorption
occurs, it will not compute a derived quantity like
this itself. You would need to extract data from
the simulation to compute it yourself, likely as
a post-processing step.