Open jiweiqi opened 3 years ago
Detailed plans
Hi, I see you started already with the 1D flame. I am also interested in that capability. In your repo I dont see any usage of the DiffEqOperators. Out of curiosity, what made you decide not to use them? I thought it would fit the task quite nicely and might enable the usage of the broader SciML Ecosystem later on.
Are you referring to the repo of https://github.com/DENG-MIT/Arrhenius_Flame_1D/blob/main/src/flame_1d.jl
I haven't tried DiffEqOperators, but I think it is worth trying. I didn't decide not to use them.
I don't have much recent hands-on experience in implementing the discretization scheme. So that I thought it might be a good start to implement it manually. Another consideration is that one-d flame involves a complex scheme for diffusion term. See sec. 12.6 of https://personal.ems.psu.edu/~radovic/ChemKin_Theory_PaSR.pdf. I am not sure if DiffEqOperators support such a scheme.
By the way, currently, I am not using the scheme detailed in the Chemkin manual to evaluate the residuals. It seems that a simple windward difference seems to give wrong residuals. if you have experience with the finite difference scheme used in one-d flame or DNS, it will be great we can have some discussions to resolve the issue.
So we are skipping this entirely or are we pushing it further down the lane?
@RSuryaNarayan , I am working on implementing the finite difference scheme thoseday. Hope fully get it to work next week.
Sure @jiweiqi sounds good
After a tough debug, finally,
something works
h2o2.yaml
Ah looks great!
Goal:
implement the discretization for one-dimensional flame, then one can compute the residuals and the sensitivity for a given solution. Further, one can also solve the equations.
Equations:
see Chemkin manual Sec. 12.6
Notes:
similar to the one did for sensBVP for ignition, but more complex with the central difference.