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CADET¶
CADET is developed at the Institute of Bio- and Geosciences 1 (IBG-1) of Forschungszentrum Jülich (FZJ) under supervision of Dr. Eric von Lieres. The heart of the CADET software is a fast and accurate solver for a comprehensive model family. Typical applications include (but are by far not limited to) chromatography, filtration, crystallization, and fermentation. CADET can handle arbitrary sequences and networks of unit operations, including reactors, tanks, tubes, pumps, valves, detectors, etc. The resulting models are solved with state-of-the-art mathematical algorithms and scientific computing techniques.
Forum: https://forum.cadet-web.de
Demo: http://cadet-web.de
Newsletter: https://cadet-web.de/newsletter/
Features¶
Fast and accurate solution of strongly coupled partial differential algebraic equations (PDAE)
Computation of parameter sensitivities with algorithmic differentiation (AD)
Shared memory parallelization using Intel TBB
Python interface
Support of HDF5 and XML data formats
Flexible and extensible through modular design
Works on Windows, Linux, and Mac OS X
Installation¶
CADET can be installed via conda from the conda-forge channel.
conda install -c conda-forge cadet
This requires a working conda installation.
Optionally, use mamba which uses a faster dependency solver than conda.
mamba install -c conda-forge cadet
For more information on how to install and build CADET, see here.
Ongoing Development¶
We do our best to provide you with a stable API. However, CADET is actively developed and breaking changes can sometimes be unavoidable. For non-developers, it is recommended to upgrade from release to release instead of always working with the most recent commit.
Bugs¶
Please report any bugs that you find here. Or, even better, fork the repository on GitHub and create a pull request (PR) with the fix.
Donations¶
Donations for helping to host, maintain, and further develop the CADET project are highly appreciated.
Citing¶
The development of CADET has been a collaborative effort, with multiple dedicated individuals contributing their expertise to create a powerful and versatile open-source software tool. Countless hours of hard work have been invested to provide the scientific community with a valuable resource. As an open-source project, CADET relies on the support and recognition from users and researchers to thrive. Therefore, we kindly ask that any publications or projects leveraging the capabilities of CADET acknowledge its creators and their contributions by citing an adequate selection of our publications.
General:
Leweke, S.; von Lieres, E.: Chromatography Analysis and Design Toolkit (CADET), Computers and Chemical Engineering 113 (2018), 274–294.
von Lieres, E.; Andersson, J.: A fast and accurate solver for the general rate model of column liquid chromatography, Computers and Chemical Engineering 34,8 (2010), 1180–1191.
Numerics:
Breuer, J. M.; Leweke, S.; Schmölder, J.; Gassner, G.; von Lieres, E.: Spatial discontinuous Galerkin spectral element method for a family of chromatography models in CADET, Computers and Chemical Engineering 177 (2023), 108340.
Leweke, S.; von Lieres, E.: Fast arbitrary order moments and arbitrary precision solution of the general rate model of column liquid chromatography with linear isotherm, Computers and Chemical Engineering 84 (2016), 350–362.
Püttmann, A.; Schnittert, S.; Naumann, U.; von Lieres, E.: Fast and accurate parameter sensitivities for the general rate model of column liquid chromatography, Computers and Chemical Engineering 56 (2013), 46–57.
Additionally, to ensure reproducibility of your work, we recommend citing the zenodo doi corresponding to the specific CADET release that you used.
Selected applications that demonstrate the capabilities and use-cases of CADET are highlighted here.
Acknowledgments¶
Please refer to the list of contributors who helped building and funding this project.