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Add multiple reactions in particles #453
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The new suggested user interface for cross phase reactions will be similar to the interface for bulk reactions:
Up to discussion is still, how we want to continue with parameters like And for reactions located only in the pore (liquid) phase I purpose:
To use the same reaction modul for different phases, I gave up the _liquid / _solid description. |
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configure functions for LRMP
change names of parameters: again with MAL_
multiple crpss phase reactions for grm
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…t unit operations
This pull request introduces a new reaction interface to support multiple reactions per particle type.
The changes include adding a new reaction model (
MassActionLawReactionCrossPhase
), updating the reaction model factory, and modifying theGeneralRateModel
andLumpedRateModelWithPores
to handle the new interface. Below are the key changes grouped by theme:New Reaction Model
MassActionLawReactionCrossPhase
to the build system inCMakeLists.txt
and registered it in theReactionModelFactory
. Due to backwards compatibility, the old MAL don't loos any feature.GeneralRateModel 1D Enhancements
GeneralRateModel
. This includes a new_oldReactionInterface
flag to distinguish between the old and new interfaces, and_numReactionsPerParticle
to track the number of reactions per particle type. [1] [2]configureModelDiscretization
to initialize and configure multiple reactions for each particle type.configure
to handle the new reaction interface, ensuring proper configuration of multiple reactions. [1] [2]threadLocalMemorySize
to account for multiple reactions. [1] [2]residualParticle
to compute residuals and Jacobians for multiple reactions per particle type.LumpedRateModelWithPores 1D Enhancements
GeneralRateModel
to support multiple reactions per particle type, including_oldReactionInterface
and_numReactionsPerParticle
.configureModelDiscretization
andconfigure
methods to handle the new reaction interface.threadLocalMemorySize
to allocate memory for multiple reactions.CSTR Enhancements
GeneralRateModel
to support multiple reactions per particle type, including_oldReactionInterface
and_numReactionsPerParticle
.configureModelDiscretization
andconfigure
methods to handle the new reaction interface.threadLocalMemorySize
to allocate memory for multiple reactions.These changes enhance the flexibility of the reaction models, allowing for more complex scenarios with multiple reactions per particle type.