how can i simulate pyrolysis process

Dear all
I want to simulate pyrolysis process, but i dont have information about how this run. Of course, i think my question is general. In fact, i want to introduce me, some of the article or source that describes how prepare input file and another file for this run.I hope to be my question obvious.
Thanks a lot.


Consider looking at Dr. Adri van Duin’s work with ReaxFF. These types of simulations can be performed in LAMMPS. If you are new to simulations, ReaxFF is maybe not the best place to start. However, for simulations involving pyrolysis this can be a good option.

The LAMMPS mailing list isn’t really a place for general simulation questions, but more so the use of LAMMPS. I am happy to help if you have specifics about how these simulations can be accomplished in LAMMPS.

Enjoy the lit review!