Hi, Teams! I’m currently trying to track the change in particle shape of a single SQP particle after a chemical reaction. My idea is to examine how the individual shape parameters of the SQP particle evolve post-reaction. Could you advise on how I can access or output the SQP shape parameters after the running? For example, are there any built-in tools such as monitors, VTK output, or similar approaches that would allow me to retrieve these parameters? Any guidance would be greatly appreciated. Thanks in advance!
The particle’s shape does not change after chemical reactions take place. They simply scale up/down (a,b,c are multiplied by the same factor and m,n remain constant). You can monitor the size of a SQP particle by looking as its bounding diameter (paraview/monitors).
Thanks for your reply, Jeff! So I would like to know if the MFIX-SQP model supports updating the particle shape parameters dynamically during chemical reactions via UDF compilation? If this is not supported, are there any alternative approaches to achieve this goal?
When we use constant density/variable size, the chemistry solver updates the particle mass and species composition. Then MFiX scales the particle size uniformly to match the updated mass. If you have a mechanism that would allow you to compute new SQP shape parameters based on the new size/composition, you can edit model/des/des_reaction_model.f around line 151 to implement it. Here axi(:) is the a,b,c semi-axes and m,n the roundness parameters. If you use the stiff solver, edit model/chem/stiff_chem_dpm.f ariund line 724.
Great, that’s it! I will have a try and great gratitude to you, Jeff!