Johannes Schmölder

Results 62 issues of Johannes Schmölder

Consider the following situation: ``` from CADETProcess.processModel import ComponentSystem component_system = ComponentSystem(1) from CADETProcess.processModel import Inlet, Outlet, Cstr inlet = Inlet(component_system, name='inlet') inlet.c = [[0, 1, 0, 0], [0, 1,...

bug
unit operation model

For some reaction systems, we have set up pseudo-component which can also have negative values. However, then reactions are not computed correctly. Example: [reaction_example.zip](https://github.com/modsim/CADET/files/8023288/reaction_example.zip) Before fix: ![wrong_reaction](https://user-images.githubusercontent.com/20299934/152976812-f29f87ca-9cd6-42db-9e58-25a7b0403c34.png) To solve this,...

This is an initial draft to improve parameter checks. In the given example, the `FLOWRATE_FILTER` accidentally did not have enough entries. Because its length was still > 0, CADET assumed...

bug
interface

This PR included the documentation for the previously undocumented colloidal model by [Xu et al](https://doi.org/10.1016/j.chroma.2009.06.082), implemented for Vijesh Kumar. Before merging, some reviewing still needs to be conducted: - [x]...

Fixes #67 ## Changes: - Bulk reaction model is always read from `REACTION_MODEL_BULK` (previously always `REACTION_MODEL`) - Bulk reaction parameters are always read from `reaction_bulk` (previously mostly `reaction_bulk`, sometimes `reaction`)...

documentation
reaction model
interface

Once #115 is merged, we can consider additional functionality that we would like to expose via the C-API. This issue serves as a super issue to collect ideas. ## Simulating...

enhancement
interface

Ultrafiltration is commonly used in downstream processing. see also https://doi.org/10.1016/j.cesx.2019.100025

unit operation model

The CADET code itself is documented using doxygen. We should include this part in the CADET documentation using the sphinx extensions [breathe](https://breathe.readthedocs.io) and/or [exhale](https://exhale.readthedocs.io/en/latest/) (a wrapper around breathe). This could...

documentation

Currently, IDAS from SUNDIALS is used, however, LIMEX (linear implicit extrapolation) is a very flexible and stable one step method (variable order and step size is easy). It can be...

numerics