Rectangular Pulse Elution Simulation with CADET

This repository contains an example simulation of the elution of a rectangular pulse using CADET-Process and CADET-RDM. Here, a General Rate Model (GRM) with a linear binding model is used to examine the influence of dispersion on the elution behavior.

This example reproduces part of the case study from:

• "Analytical solutions and moment analysis of general rate model for linear liquid chromatography" Shamsul Qamar, Javeria Nawaz Abbasi, Shumaila Javeed, Andreas Seidel-Morgenstern Chemical Engineering Science (2014); 107:192–205 https://doi.org/10.1016/j.ces.2013.12.019

It is also referenced in:

• "Chromatography Analysis and Design Toolkit (CADET)" Samuel Leweke, Eric von Lieres Computers & Chemical Engineering (2018); 113:274–294 https://doi.org/10.1016/j.compchemeng.2018.02.025

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Authors

• 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