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lcpp-org / crane

A MOOSE application dedicated to general Chemical ReAction NEtworks for plasma chemistry and thermochemistry problems.
https://crane-plasma-chemistry.readthedocs.io/
GNU Lesser General Public License v2.1
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Interpolation #104

Open ananthanarasimhanj opened 1 year ago

ananthanarasimhanj commented 1 year ago

For input of 3 Td, interpolation is used to get rate coefficient from the reported data. Below are the nearby points.

E/N--------- k 2.848036------5.344192e-31 3.274549 ------7.650413e-28

ISSUE: It is expected that, k should be between e-31 and e-28 for 3 Td. However, when “spline" interpolation was used, the chosen k value for 3 Td was1.18e-24 (spline.i file in in "Interpolation.zip").

ALTERNATE TRIED: When interpolation was changed to “linear,” the chosen k value was 9.36e-29 (linear.i in "Interpolation.zip").

Interpolation.zip

In another case, with simple Two reaction for N2, for 30 Td, the "spline" picked k as 0, whereas the linear worked fine (N2-Interpolation.zip for reference)

N2-Interpolation.zip

dcurreli commented 11 months ago

I suggest to use a linear interpolator in this case. If you really need to spline exponential values (even if I do not think this is the case for this problem), I suggest to add use_log = true in [ChemicalReactions].