I am using CADET for simulation of chromatography process and I have a question I would like to ask, assuming unit_001 is a chromatography column and I am using SMA adsorption model, I can get the concentration of components of the mobile phase at the outlet of the chromatography column ‘model.root.output.solution.unit_001.solution_outlet’. Can I get the component adsorption concentration (stationary phase concentration) q at each discrete point on the column?
If anyone could give me some advice, I would greatly appreciate it!
You can get them by setting WRITE_COORDINATES, WRITE_SOLUTION_SOLID in the return group to true. The data structure of the coordinates and q depends on the column model you are using. For more info you can refer to the document.
If you are using GRM, q = q(t,z,r). CADET will output q as an array with shape (N_t , N_z, N_r) where N_t, N_z and N_z are the time, axial and radial number of cells. The actual t is the user-defined time. The actual z and r can also be obtained from the output group, from which you can construct the entire solution inside the column at any time point.