The Chromatography Analysis and Design Toolkit (CADET) is developed at the Research Center Juelich. 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 governing partial differential-algebraic equations (PDAE) are discretized in space and time using mass preserving finite volumes (FV) and a backward difference formula (BDF). The weighted essentially non-oscillatory (WENO) scheme is applied for minimizing numerical dissipation. Parameter sensitivities are computed using algorithmic differentiation (AD). The code is shared memory parallelized for efficiently utilizing the computational power of modern multicore processors. The CADET framework also comprises a MATLAB interface and standard routines for parameter estimation, process optimization and experimental design. CADET is freely distributed as open source code to the scientific community.

Chromatography analysis and design toolkit (CADET)

247th National Meeting (2014)

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