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Unit operation models

A comprehensive collection of chromatographic unit-operation models is provided through the Python-based tool CADET-Equations. The tool provides a graphical interface and allows users to export the corresponding governing equations in LaTeX or PDF format. The application is hosted as a web application and will be integrated into the CADET modeling documentation in the future.

A short comparison of the most prominent unit operation model features is given in Table 1.

Table 1 Supported features of the different unit operations models

Unit operation model	Radial dispersion	Pore diffusion	Film diffusion	Particle geometries	Multiple particle types
General rate model (GRM)	×	✓	✓	✓	✓
Lumped rate model with pores (LRMP)	×	×	✓	✓	✓
Lumped rate model without pores (LRM)	×	×	×	×	×
Two Dimensional General rate model (GRM2D)	✓	✓	✓	✓	✓
Continuous stirred tank reactor model (CSTR)	×	✓	✓	✓	✓
Multichannel Transport model (MCT model)	×	×	×	×	×
Crystallization / Precipitation Models	×	×	×	×	×

Moreover, the pseudo unit operations Inlet, and Outlet act as sources and sinks for the system. We further note that column geometry variants, specifically axial-flow, radial-flow and concical frustum, are available for the LRM, LRMP and GRM.