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https://github.com/cadet/rdm-example-rectangular-pulse

CADET case study from paper: Analytical solutions and moment analysis of general rate model for linear liquid chromatography” (Shamsul Qamar et al.)

https://github.com/cadet/rdm-example-rectangular-pulse

Science Score: 49.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ✓
    DOI references
    Found 8 DOI reference(s) in README
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    2 of 2 committers (100.0%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (9.7%) to scientific vocabulary
Last synced: 6 months ago · JSON representation

Repository

CADET case study from paper: Analytical solutions and moment analysis of general rate model for linear liquid chromatography” (Shamsul Qamar et al.)

Basic Info
  • Host: GitHub
  • Owner: cadet
  • Language: Python
  • Default Branch: main
  • Size: 20.5 KB
Statistics
  • Stars: 0
  • Watchers: 3
  • Forks: 0
  • Open Issues: 0
  • Releases: 0
Created 11 months ago · Last pushed 7 months ago
Metadata Files
Readme

README.md

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:

Authors

  • Katharina Paul
  • Ronald Jäpel
  • Hannah Lanzrath

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
  • Delete event: 1
  • Issue comment event: 1
  • Push event: 25
  • Pull request review event: 1
  • Pull request event: 4
  • Create event: 5
Last Year
  • Delete event: 1
  • Issue comment event: 1
  • Push event: 25
  • Pull request review event: 1
  • Pull request event: 4
  • Create event: 5

Committers

Last synced: 9 months ago

All Time
  • Total Commits: 8
  • Total Committers: 2
  • Avg Commits per committer: 4.0
  • Development Distribution Score (DDS): 0.125
Past Year
  • Commits: 8
  • Committers: 2
  • Avg Commits per committer: 4.0
  • Development Distribution Score (DDS): 0.125
Top Committers
Name Email Commits
Katharina Paul k****l@r****e 7
Hannah Lanzrath h****h@f****e 1
Committer Domains (Top 20 + Academic)
fz-juelich.de: 1 rwth-aachen.de: 1

Issues and Pull Requests

Last synced: 10 months ago

All Time
  • Total issues: 0
  • Total pull requests: 2
  • Average time to close issues: N/A
  • Average time to close pull requests: about 1 hour
  • Total issue authors: 0
  • Total pull request authors: 1
  • Average comments per issue: 0
  • Average comments per pull request: 0.5
  • Merged pull requests: 1
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 2
  • Average time to close issues: N/A
  • Average time to close pull requests: about 1 hour
  • Issue authors: 0
  • Pull request authors: 1
  • Average comments per issue: 0
  • Average comments per pull request: 0.5
  • Merged pull requests: 1
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
Pull Request Authors
  • hannahlanzrath (4)
Top Labels
Issue Labels
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Dependencies

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