Question on arrhenius constraint on lammp REACTER

LAMMPS
1

tiny_polystyrene.tar (200 KB)
Hi @ jrgissing
The used versin is LAMMPS (22 Dec 2022), related files are attached, I have a queation on set up arrhenius contraints in 2styrene_map, when I made A equal zero on arrhenius constraint, Ea equal 100 kcal/mol, the K should be zero, the reaction should not happen, but, the reaction can still happen, could you please tell me why ? how to stop the reaction by setting up arrhenius constraint ? Thanks for reply in advance !

                                                        Best wishes
2

You have to include a header line and a section title, as with the other sections in the reaction map file (currently that line is being ignored entirely, I guess I should add a check for erroneous lines at the end of the file). So, something like:

1 constraints

Constraints

arrhenius 0 0 100 123456