Load-Wash-Elute Simulation with CADET

This repository contains example simulations of a Load-Wash-Elute process using CADET-Process and CADET-RDM. A four-component system including Salt for the elution is simulated with a Steric Mass Action binding model and a General rate model unit operation model. In CADET-Process, gradients can be used by either changing the concentration profile of an {class}~CADETProcess.processModel.Inlet (lwe_concentration.py) or by adding multiple inlets and dynamically adjusting their flow rates (lwe_flow_rates.py).

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Authors

• Johannes Schmölder
• Katharina Paul
• Ronald Jäpel
• Hannah Lanzrath

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Running the Example Simulation

1. Clone this repository.

2. Set up the environment using the environment.yml file.

3. Run the simulation:

   python main.py

The results will be stored in the src folder inside the output directory.

Note: Running cadet-rdm requires Git LFS, which needs to be installed separately.

• Ubuntu/Debian:

  sudo apt-get install git-lfs
  git lfs install

• macOS (with Homebrew):

  brew install git-lfs
  git lfs install

• Windows: Download and install from https://git-lfs.com

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Output Repository

The output data for this case study can be found here: Link to Output Repository