UNOFFICIAL version of CADET

For the official CADET repository, head to https://github.com/modsim/CADET . This version of CADET, based on CADET 2.3.2
was forked and modified by KBI Biopharma Inc. to support the Reveal-Chromatography desktop application for
chromatography modeling.

Chromatography Analysis and Design Toolkit

The Chromatography Analysis and Design Toolkit (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 core of the CADET software is a fast and accurate solver for the General Rate Model (GRM) of packed bed liquid chromatography. The CADET solver covers a wide range of GRM variants, combining different transport and binding models with state-of-the-art mathematical algorithms and scientific computing techniques.

The CADET framework also comprises a MATLAB interface and standard routines for parameter estimation, process optimization and experimental design. CADET is freely distributed (under the terms of the GPLv3) as a contribution to the scientific community. If you find it useful for your own work, we would appreciate acknowledgements of the CADET software and citations of our papers (see the BibTeX citations):

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.
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 56,13 (2013), 46-57.
Püttmann, A.; Schnittert, S.; Leweke, S.; von Lieres, E.: Utilizing algorithmic differentiation to efficiently compute chromatograms and parameter sensitivities, Chemical Engineering Science 139 (2016), 152–162.
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.

Features

Fast and accurate solution of the partial differential algebraic equations (PDAE) based on the finite volume method and the WENO scheme
Computation of derivatives with respect to model parameters by a forward sensitivity approach combined with algorithmic differentiation (AD)
Shared memory parallelization using OpenMP
Native MATLAB interface (MEX) with many examples for rapid development
Modular design allows for easy experimenting with the code (e.g., adding a new binding model)
Supports XML and HDF5 as data formats
Multi-platform: Works on Windows, Linux, and Mac OS X

Get CADET

Download the latest release for your platform.
Check the tutorials on how to install CADET.

Dependencies

CADET has been successfully built and run on the following platforms:

MS Windows 7
Linux (Ubuntu 12.04, SLES11 SP3)
Mac OS X (10.6.8 Snow Leopard, 10.9 Mavericks).

Building

A C++11 capable compiler (e.g., GCC >= 4.7, Clang >= 3.3, MS Visual Studio >= 2010)
CMake
TCLAP: Templatized C++ Command Line Parser (header-only, distributed along with CADET)
pugixml (distributed along with CADET)
ADOL-C (optional, header-only, distributed along with CADET)

Running

IDAS of the SUNDIALS package
LAPACK
HDF5

Although is is not a requirement, MATLAB (R2010b or higher) is highly recommended for interfacing the simulator.

Tutorials and Instructions

Please find instructions on how to build, install, or use CADET in the Wiki.

For example, there are tutorials on

Documentation

The current documentation and several technical documents can be found at our GitHub Pages.

Online Simulator

Try CADET in the browser using the online simulator web service.

Ongoing Development

Since CADET is actively developed, do not expect a stable API. Breaking changes and extensive restructuring may occur in any commit and release.
For non-developers it is recommended to upgrade from release to release instead of always working with the most recent commit.

Donations

Donations for helping to host, maintain and further develop the CADET project are highly appreciated.