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Crystallization reaction module #112
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I've moved the computation of the WENO coefficients from the
Of course, I have not tested the changes. Sorry! You may want to make sure that I didn't break anything. Another thing that caught my eye: Flux through left and right face are computed separately. But don't we have
So the idea is to use the flux value from the previous cell's right face as the flux through the current cell's left face. Then update the variable to the flux through the current cell's right face. This would again save a lot of computations. |
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Hey @WFlynnZ we're currently cleaning up our project management pipeline and were wondering if you could update us on the current status of the crystallization module. What's missing and when can we expect this to be finished? Hope all is well! |
I think last time @jbreue16 and I checked we are pretty much all set (for part I, part II will be in a different PR) for residual and jacobian tests for all terms implemented (I need to double check the HR Koren tests). @jbreue16 mentioned he has another idea on how we compare the test result with no analytical solutions and clean up the code to wrap things up? @jbreue16 Are we still on top of that? |
Crystallization/Precipitation modelled by a population balance model is implemented as a reaction module and thus made available in every unit operation that supports reactions, specifically in a CSTR and a DPFR (i.e. LRM without solid). Co-authored-by: Samuel Leweke <[email protected]>
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All contributors have signed the CLA ✍️ ✅ |
Ive rebased the branch, resolved some conflicts and squahsed the commits into two. I've created a backup branch with the old commits here @WFlynnZ can you make sure that the crystallization code still works by simply running one or two of your simulations. I'll go through the documentation and tests to see if I can update/fix some things, some of which were already mentioned in the above conversation. Flynn and I will meet next week, discuss final changes and hopefully and finally merge the branch into master. |
At least one of the following two applies:
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I have read the CLA Document and I hereby sign the CLA. |
I checked one simulation, it still works
Signed |
It would be great if we could finalize this PR s.t. we can include it in v5.0.0 of CADET. What's currently blocking the merge? |
Crystallization/Precipitation modelled by a population balance model is implemented as a reaction module and thus made available in every unit operation that supports reactions, specifically in a CSTR and a DPFR (i.e. LRM without solid). Co-authored-by: Samuel Leweke <[email protected]>
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Crystallization/Precipitation modelled by a population balance model is implemented as a reaction module and thus made available in every unit operation that supports reactions, specifically in a CSTR and a DPFR (i.e. LRM without solid). Co-authored-by: Samuel Leweke <[email protected]>
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Crystallization/Precipitation modelled by a population balance model is implemented as a reaction module and thus made available in every unit operation that supports reactions, specifically in a CSTR and a DPFR (i.e. LRM without solid). Co-authored-by: Samuel Leweke <[email protected]>
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Crystallization/Precipitation modelled by a population balance model is implemented as a reaction module and thus made available in every unit operation that supports reactions, specifically in a CSTR and a DPFR (i.e. LRM without solid). Co-authored-by: Samuel Leweke <[email protected]>
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Code can be merged after we have decided on the AD directions
Co-authored-by: Samuel Leweke <[email protected]>
Crystallization/Precipitation modelled by a population balance model is implemented as a reaction module and thus made available in every unit operation that supports reactions, specifically in a CSTR and a DPFR (i.e. LRM without solid). Co-authored-by: Samuel Leweke <[email protected]>
Needed in Crystallization DPFR test, where Jacobian entries become numerically challenging (ca. 1E24)
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Adds a reaction module for crystallization. The population balance is discretized using finite volumes. The "advection"-like growth is implemented by simple upwind fluxes. The integral is approximated by the midpoint quadrature rule.