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CADET Overview

Performing a forward simulation comprises several steps:

For this example, we will use CADET-Python (see Install a frontend) CADET-Python is a file based interface for CADET. CADET still must be downloaded and built from https://github.com/modsim/CADET

CADET-Python almost exactly maps to the documented CADET interface except that all dataset names are lowercase. This simplifies using the interface.

This package includes the Cadet class and H5 class. H5 can be used as a simple generic HDF5 interface.

As an example look at setting column porosity for column 1. From the CADET manual the path for this is /input/model/unit_001/COL_POROSITY

In the python interface this becomes `` sim = Cadet() sim.root.input.model.unit_001.col_porosity = 0.33 `` Once the simulation has been created it must be saved before it can be run `` sim.filename = “/path/to/where/you/want/the/file.hdf5” sim.save() ``

Define unit operation parameters

See also: Unit operation models

Define adsorption and reaction paramters

See also: Binding models, and Binding models

See also: Reaction models, and Reaction models

Setup connections and switches

See also: Simulation, and Networks of unit operations,

See Tables Group /input/model/connections and Group /input/model/connections/switch_XXX.

../_images/sections.png

Configure solver

Call solver and read results

`` sim.load() ``