Add Single Chemistry reduction reaction to packedBedTempParscale tutorial

Submitted by sam_mcdermott on Fri, 09/29/2017 - 16:45

Hi all,

I am currently trying to implement the example nonCatalyticHeterogeneousReaction in Parscale-Public into the packedBedTempParscale tutorial. In other words: I would like to simulate a packed bed simulation which can heat up and where the particles can react.

Up to now I was able to run the nonCatalyticHeterogeneousReaction on it's own. Also, the packedBedTempParscale tutorial works fine. When combining both examples, thus adding two more modelEqn 1DSpherical commands for a gas and solid phase, some errors occur. I was able to fix some error's, which were related to the fix propert/atom scalar of some coefficients (speciesAflux, speciesATransCoeff, speciesSolidFlux and speciesSolidTransCoeff). However, I still get an error which states that: "could not find LIGGGHTS scalar pull property" (see below for log file). My idea was that the the 4 extra boundary conditions for the two species equations are not yet set in the in.liggghts_run file.

My question is: is it possible to add a chemistry model to the already working packedBedTempParscale tutorial? And, how do I fix the error seen below?

Many thanks in advance!

[Process 0/4] CouplingModelLiggghts has found fix of type_ 'couple/pascal'. Calling fix-functions now...
[Process 0/4]
*******************************************

[Process 0/4] : ParScale initalized!

[Process 1/4] CouplingModelLiggghts has found fix of type_ 'couple/pascal'. Calling fix-functions now...
[Process 1/4]
*******************************************

[Process 1/4] : ParScale initalized!

Input::fill_container_from_json for scope: speciesSolid
Input::fill_container_from_json for scope: gasPhaseFraction
Input::fill_container_from_json for scope: gasPhaseFraction
[Process 3/4] CouplingModelLiggghts has found fix of type_ 'couple/pascal'. Calling fix-functions now...
[Process 3/4]
*******************************************

[Process 3/4] : ParScale initalized!

[Process 2/4] CouplingModelLiggghts has found fix of type_ 'couple/pascal'. Calling fix-functions now...
[Process 2/4]
*******************************************

[Process 2/4] : ParScale initalized!

[Process 1/4]

ERROR on process 1 (in file coupling_model_liggghts.cpp, line 512):
[Process 1/4] could not find LIGGGHTS scalar pull property.
[Process 2/4]

ERROR on process 2 (in file coupling_model_liggghts.cpp, line 512):
[Process 2/4] could not find LIGGGHTS scalar pull property.
[Process 0/4]

ERROR on process 0 (in file coupling_model_liggghts.cpp, line 512):
[Process 0/4] could not find LIGGGHTS scalar pull property.
[Process 3/4]

AttachmentSize
Plain text icon log_run_cfd.txt39.71 KB
Plain text icon in.liggghts_run.txt4.9 KB
Plain text icon in.pascal.txt1.18 KB