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https://github.com/cadet/rdm-example-simulated-moving-bed

CADET case study from paper: Efficient numerical simulation of simulated moving bed chromatography with a single-column solver (He et al.)

https://github.com/cadet/rdm-example-simulated-moving-bed

Science Score: 59.0%

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    CITATION.cff file
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    Found codemeta.json file
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    Found .zenodo.json file
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    DOI references
    Found 1 DOI reference(s) in README
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    Academic publication links
    Links to: sciencedirect.com
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    Committers with academic emails
    2 of 3 committers (66.7%) from academic institutions
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    Scientific vocabulary similarity
    Low similarity (10.7%) to scientific vocabulary
Last synced: 7 months ago · JSON representation

Repository

CADET case study from paper: Efficient numerical simulation of simulated moving bed chromatography with a single-column solver (He et al.)

Basic Info
  • Host: GitHub
  • Owner: cadet
  • Language: Python
  • Default Branch: main
  • Size: 957 KB
Statistics
  • Stars: 0
  • Watchers: 2
  • Forks: 0
  • Open Issues: 1
  • Releases: 0
Created 11 months ago · Last pushed 8 months ago
Metadata Files
Readme

README.md

Simulated Moving Bed Simulation with CADET

This repository contains example simulations of Simulated Moving Bed (SMB) processes using CADET-Process and CADET-RDM. A four-zone SMB system with eight columns and a five-zone SMB system with five columns are examined. A linear binding model and an Equilibrium-Dispersive Model (EDM) are used to simulate binary and ternary separations. The EDM is solved by adapting the General Rate Model (GRM).

This example reproduces part of the case study from:

  • "Efficient numerical simulation of simulated moving bed chromatography with a single-column solver" Qiao-Le He, Samuel Leweke, Eric von Lieres Computers & Chemical Engineering (2018); 111:183-198. doi:10.1016/j.compchemeng.2017.12.022.

Authors

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

Running the Example Simulation

  1. Clone this repository.
  2. Set up the environment using the environment.yml file.
  3. Run the simulation:

bash 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:

bash sudo apt-get install git-lfs git lfs install

  • macOS (with Homebrew):

bash brew install git-lfs git lfs install

Output Repository

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

Owner

  • Name: CADET
  • Login: cadet
  • Kind: organization
  • Email: cadet@fz-juelich.de

GitHub Events

Total
  • Issues event: 1
  • Push event: 8
  • Create event: 2
Last Year
  • Issues event: 1
  • Push event: 8
  • Create event: 2

Committers

Last synced: 8 months ago

All Time
  • Total Commits: 32
  • Total Committers: 3
  • Avg Commits per committer: 10.667
  • Development Distribution Score (DDS): 0.094
Past Year
  • Commits: 32
  • Committers: 3
  • Avg Commits per committer: 10.667
  • Development Distribution Score (DDS): 0.094
Top Committers
Name Email Commits
Katharina Paul k****l@r****e 29
Lanzrath, Hannah h****h@f****e 2
Katharina Paul k****3@g****m 1
Committer Domains (Top 20 + Academic)
fz-juelich.de: 1 rwth-aachen.de: 1

Issues and Pull Requests

Last synced: 8 months ago

All Time
  • Total issues: 0
  • Total pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Total issue authors: 0
  • Total pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
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Top Authors
Issue Authors
  • hannahlanzrath (1)
Pull Request Authors
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Dependencies

Dockerfile docker
environment.yml pypi
  • cadet-process *
  • cadet-rdm *