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Description
This meta-issues tracks progress related to the refactoring of chromatography units, including #414 and open ends beyond
TODO
- Deprecate collocation variant of DGSEM particle discretization #411
- Modularize particle DG discretization #406
- Refactor particle operator to be particle type specific #423
- Add binding and reactions to particle operator #424
- Modularize particle discretization in particle operator #431
- Modularize particle model #432
- Add homogeneous particle model class, integrate into LRMP_DG unit #434
- Move film diffusion to particle model #435
- Add generalized 1D column unit #436
- Refactor 2DLRMP unit into generalized 2D column unit #458
- performance benchmarks with old models: 10 runs, required compute times are in the same range but vary from run to run, sometimes old and sometimes new units are better. Same on average.
- Remove obsolete unit operations #464, but allow old
unit_typespecification (which will still require the new particle interface exceptparticle_type) - Update to generalized interface #471 - keep the optimized arrow-head FV units, but update interface
- Add FV particle diffusion operator #465
- Decision: we will keep a separate "without pores" unit operation for performance and code readability reasons
- refactor the interface, change modelbuilder so that this internally separate unit is called
- add bulk FV to generalized units
- make forum post when this is merged on master to announce these breaking changes and explain our release strategy. team post can serve as template/draft. hint to docker images. emphasize that the documentation on master is now breaking all <v6 releases
- finalize documentation
- get review
- what to do with the possibility to specify
UNIT_TYPEwith the legacy names - rework modeling section and in that context what to do with paper and cadet-equations?
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
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