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Add multiple reaction #491
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Add multiple reaction #491
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jbreue16
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This is so cool to have, very valuable work !
Seems like 10 crystallization tests are failing and I don't think this is solely due to CI shenanigans, since in that case it's always been just one or two that fail. Also, this PR changes reactions and crystallization is implemented as an reaction and specific care should be taken here with these tests.
@AntoniaBerger do you have an idea on what could be going wrong here? have you tested if its really just the CI thats failing us? You could e.g. run some of the tests defined in cadet-verification to double check if the changes actually broke crystallization
This is a great point! I will double check! |
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All failing Crystallization tests are running in debug and release mode on my local computer. @jbreue16 can you reproduce this? |
This PR introduce a generalized reaction management system that allows multiple independent reaction types (liquid, solid, cross-phase) to coexist within a single unit operation and particle, enabling more flexible reaction modeling.
Key Changes
Core Infrastructure
ReactionSystemclass manages dynamic reaction models across different phases (cross_phase, liquid, pore, solid) within a unified structureSeparate cross phase reactions and single phase reactions
MASS_ACTION_LAWMASS_ACTION_LAWtoMASS_ACTION_LAW_CROSS_PHASECell Kernel
BindingCellKernel.hppto handle multiple simultaneous reaction typesInterface Details
New Parameters Introduced
NREAC_LIQUID- Number of liquid phase reactionsNREAC_CROSS_PHASE- Number of cross-phase reactionsNREAC_SOLID- Number of solid phase reactionsMASS_ACTION_LAWandMICHAELIS_MENTEN) the_bulkdescriptionTesting