Closed mliu49 closed 7 years ago
Okay, thanks! Will add a constraint of maximumNitrogenAtoms = 2
there. @alongd, and @nyee do you guys have any suggestions on the constraint for nitrogen?
The methane example has only GRI as a seed library (not the GRI-N version), and no other libraries to help RMG with small radical reactions of nitrogen. So I think it will make sense to make N2 a non reactive species here. Alternatively, we could use the GRI-Mech3.0-N
library if we do want N chemistry, and then I would also recommend to restrict maxNatoms to 2 (capture NO, NO2, N2O, N, NH...)
thanks, @alongd!
The methane example has nitrogen as a reactive species, so it ends up creating species like
N(=NN=[N])N=NN=NN=[N]
andN([N]N=NN=[N])(N=NN=NN=NN=[N])N=[N]
.If nitrogen was intentionally set as a reactive species, then we probably need to set a species constraint on the maximum number of nitrogen atoms.