JuBiotech / Supplement-to-Breuer-et-al.-2023a

Supplement code

Spatial discontinuous Galerkin spectral element method for a family of chromatography models in CADET

Computers & Chemical Engineering

Jan Michael Breuer^1,2 (ORCID: 0000-0002-1999-2439),
Samuel Leweke¹ (ORCID: 0000-0001-9471-4511),
Johannes Schmölder¹ (ORCID: 0000-0003-0446-7209),
Gregor Gassner^2,3 (ORCID: 0000-0002-1752-1158),
Eric von Lieres¹ (ORCID: 0000-0002-0309-8408)

¹ Forschungszentrum Jülich, IBG-1: Biotechnology, Jülich, Germany
² Department of Mathematics and Computer Science, University of Cologne, Cologne, Germany
³ Center for Data and Simulation Science, University of Cologne, Cologne, Germany

Description

Supplement code to recreate evaluation.

License

We note that CADET is distributed under a different license than the one given here, which solely refers to the evaluation scripts.

General procedure:

• Either clone DG branch of CADET here or use the CADET-DG commit in this repo (to use the exact same version that was used in the paper) and install following the installation guide. Note that in the future, after we merged the DG extension into the main branch, this step becomes obsolete this step becomes obsolete and the conda installation can be used.
• Create conda environment using the environment.yml file.
• Recreate evaluation by executing the code given in eval_CADET_DG.py according to the instructions given therein.

Requirements

Software:

• CADET
• Anaconda, Python = 3.9
• Git

Anaconda

1. Install Python Environment manager with Python 3.9 (Anaconda with Anaconda Navigator).
2. Create new environment using the environment.yml by executing conda env create -f environment.yml.