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Refactor and generalize particle modeling #414

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Refactor and generalize particle modeling #414

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@jbreue16 jbreue16 commented May 19, 2025

This collection of PRs modularizes the particle model implementation and incorporates them into generalized unit operations.

TODO

Follow up issues

  • modularize the FV and DG convection dispersion operator (1D), use in generalized unit. That'd result in a FV discretization without arrow head. Note: Move Jacobian recomputation into residualimpl of the modules: remove diagonal entries reset in DG particleDiffOp, change DG Jacobian to addition, move bulk jac to convDispOp. Also add bulk FV to the LRM unit
  • Add a CSTR with the new particle interface, see Implement tank with particles with pore diffusion #34
  • implement new interface in cadet-process, cadet-verification, cadet-equations

jbreue16 and others added 6 commits July 18, 2025 13:41
Implement new particle interface, maintain the old one for GRM, LRMP
units

Fix interface of homogeneous particles

Add tests: GRM, LRMP, and mixed general rate and homogeneous particle
type tests

Allow nParType=0, i.e. DPF(R)
@jbreue16 jbreue16 added this to the v6.0.0 milestone Jul 28, 2025
Always recompute Jacobian in 1D unit if wantJac

Fix linear solve of inlet Jacobian block in 1D column unit

Add compression to AD Jacobian

Implement function to check analytic Jacobian against AD during
simulation

Add exception for NPARTYPE = 0 but particle group exists
This commit removes the GRM_DG and LRMP_DG unit operation
implementations, which became part of the generalized COLUMN_MODEL_1D
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