Published July 24, 2023 | Version v4.4.0
Software Open

modsim/CADET: Version 4.4.0

  • 1. Bayer AG (@Bayer-Group) / University of Cologne, Germany
  • 2. Forschungszentrum Jülich
  • 3. KBI Biopharma

Description

The Chromatography Analysis and Design Toolkit (CADET) is developed at the Institute of Bio- and Geosciences 1 (IBG-1) under supervision of Dr. Eric von Lieres.
For further information go to https://cadet.github.io.


This is a minor release bundling some recent fixes and adding LDF and HIC isotherms.

Added

  • Added simple C interface to libcadet (cd32fc4)
  • Added linear driving force implementations of certain isotherms (bee06f64c7a44b7bb41b8e7442e6f7d3b3bca082), see docs:
    • Freundlich LDF
    • Multi-component-Langmuir LDF
    • Multi-component-Langmuir LDF liquid phase
    • Multi-component-Bi-Langmuir LDF
  • Added 2 HIC Isotherms: (6e93126ef9813dae93b8a408d9fe627d0dcab7a8) (#121)
    • Water on Hydrophobic Surfaces (#116), see.
    • HIC based on Constant Water Activity (#118), see.

Fixed

  • Fixed solution dimensions for lumped rate model with pores (#133)
  • Fix consistent initial state for linear isotherm (b62b890d44097b26f702c4c59780c8b6dc36a29b) (#106)
  • Fix issue with consistent initialization of LRM (f40f239a10c1455b5b078ca724450d09d2853249) (#107)
  • Fixed return config validation in SolutionRecorder (8070044dff8953997d8ebb41483cfbc089637891)
  • Fixed binding model tests that use external funcs (761d9cd9a68ffa7210795d99f791db51ae870bc1)
  • Fixed compiling issues with C API on Mac OS (3efce73eba24a60fc81b3046d95d250a3ae9078f)
  • Fixed HDF5 writer when using blocks (which sometimes just wrote zeros to the h5 file) (43424e24dd066cf08636fcab8739877187450805)
  • Fixed build error for non-Windows systems (8fd1f23dc50cb23e2bc939a3bfdb3ccb217eba5a)
  • Fixed reaction Jacobian in models without bound phase (bab4763336a426b4b9ac930a8c5455a88a6a21d6)
  • Fixed bugs in solution exporter implementation (4eeeed5ec020f706361deedbe9fe804db98c8007)

Changed

  • Changed writing output from pull to push model (c32c426ba6e8439783eec0e1434b5ac1d14c1365)
  • Removed Kumar-Langmuir Binding Model from documentation, which is a special case of Mobile Phase Modulator Langmuir Model (Kumar is still available). (7ca23285bd52da734fd019da1b9b1e7815811924) (#119)

Updated

  • Updated installation instructions (a454522a50d828bc483718f416fd5b7c7636b912)
  • Updated documentation: (commits 8747d94, 783a3d0, a3c2677)
    • Improved documentation of discretization (783a3d097bf8a9573f64d2613865d1e4441e4adb)
    • Update docs on linear solution mode heuristic (a3c2677a08296ca9aa636afaf58f55b4e6e56d4b)

Acknowledgments

Johannes Schmölder has received support from the IMI2/ EU/EFPIA joint undertaking Inno4Vac (grant no. 101007799).

Files

modsim/CADET-v4.4.0.zip

Files (3.4 MB)

Name Size Download all
md5:87ab3ef214d7380cbe1ec241492e998c
3.4 MB Preview Download

Additional details

Related works