Simulation of protein adsorption in Ion Exchange Chromatography (IEX) with COMSOL Multiphysics

A simulation of Ion Exchange Chromatography in COMSOL Multyphisics by the mass transport phenomena on a column with packed bed heigh of 56.52 cm. The simulation was based on the physical phenomena of convections and diffusion, both radial and axial, the chemical reaction simulated was that of Bovine serum Albumin (BSA) and recombinant Green Fluorescent Protein (rGFP) with Q Sepharose XLTM in slightly basic conditions pH 8.5. Experimental data of Langmuir Adsorption Isotherm in batch was used to determine an equilibrium constant kL and use it for the simulation reaction. Dynamic adsorption experimental data was obtained by frontal analysis of BSA and rGFP in an Äkta Pure system, that resulted in a chromatogram. The chromatogram was studied with Carta’s model to obtain physical parameters of the model proteins. The simulations were based on the experimental data and fed in several nodules of the Software to solve for a chromatographic process of adsorption through time and radial diffusion. Nodules of reaction rate of a chemical reaction (chemistry), mass transport through a system based on convection and diffusion (Transport of Dilutes Species) and for velocity vector (Darcy’s Law) were used. Coupling these nodules, the study of mass transport in a column can be visualized in 3D and the results can be plotted in a two dimensional form, this allows to plot the process in the radial direction and not only in the time dimension.

https://orcid.org/0000-0002-3457-7030