1. CADET-Julia: Efficient and versatile, open-source simulator for batch chromatography in Julia.
- Author
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Frandsen, Jesper, Breuer, Jan Michael, Schmölder, Johannes, Huusom, Jakob Kjøbsted, Gernaey, Krist V., Abildskov, Jens, and von Lieres, Eric
- Subjects
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SPECTRAL element method , *GALERKIN methods , *PROGRAMMING languages , *COLUMN chromatography , *LIQUID chromatography - Abstract
This study introduces CADET-Julia, an open-source, versatile and fast chromatography solver implemented in the Julia programming language. The software offers a platform for rapid prototyping and numerical refinement for a range of chromatography models, including the general rate model (GRM). The interstitial column mass balance was spatially discretized using a strong-form discontinuous Galerkin spectral element method (DGSEM) whereas a generalized spatial Galerkin spectral method (GSM) was applied for the particle mass balance. Three different benchmarks showcased the computational efficiency of CADET-Julia: A baseline benchmark was established by comparing the Julia implementation to a C++ implementation that employed the same mathematical methods and time integrator (CADET-DG). Various Julia time integrators were tested, and with the best-performing settings, the Julia implementation was benchmarked against CADET-DG and a finite volume (FV) based implementation in C++ (CADET-FV). Overall, Julia implementations performed better than C++ implementations and Galerkin methods were generally superior to finite volumes. • Free and open-source software in the programming language Julia. • Rapid solution of batch chromatography models. • Utilization of efficient stiff ODE solvers in Julia. • Substantial speedup as compared to C++ implementation. • Platform for rapid prototyping and numerical refinement. [ABSTRACT FROM AUTHOR]
- Published
- 2025
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