NUSCondy

Hi, FYI, for the ethane example case, if I comment the pressure dependence options, it becomes good again. For the one using AramcoMech_2.0, such a change doesn't work.

Hi, FYI, I have tried to build an ethane oxidation mechanism using Aramcomech_2.0 thermo and kinetics library with RMG I installed in Sept 2020. It seems that it is okay...

Hi @mjohnson541, Is this issue fixed on the latest version or on other branch?

Hi @mjohnson541 , It is good to hear that. I also have a question about to_rms option. Since sensitivity analysis or simulation on model is optional, is it necessary to...

Got it! Thank you for the explanation!

Thank you for your explaining. You are right and it is the problem with the species list. Though it is not about HE. It is because when exporting the models...

Hi @alongd , Thank you so much. It works by just adding the absolute path to 'runs'.

Dear @alongd , Actually, I tried to mannually calculate L-J params using OneDMin but failed to estimate the Rmin adn Rmax. The results are weird since epsilons are all around...

Hi @alongd , Thanks for your sharing. The estimation method works for my case. You mentioned that it is not fully developed. Did you mean this method is not universal...

The estimation of Rmin is good. During my manual calculation, it seems Rmax should be larger than Rmin+3.0. Some points may be out of this range.