Using the reactive/transport dispersive models to simulate a monolithic anion exchanger: Experimental parameter...

Area of Science:

• Biochemical Engineering
• Separation Science
• Chromatography

Background:

• Monolithic chromatography is difficult to simulate due to complex mass transfer mechanisms.
• Accurate modeling is crucial for process optimization and scale-up.
• Previous simulations have not fully captured the intricacies of monolith-based protein separations.

Purpose of the Study:

• To simulate the chromatographic separation of model proteins on an anion exchange monolith.
• To determine and validate simulation models using experimental data and statistical criteria.
• To identify dominant mass transfer mechanisms controlling protein separation.

Main Methods:

• Experimental characterization of monolith and protein properties.
• Simultaneous testing and validation of transport dispersive and reactive dispersive models coupled with steric mass action (SMA) isotherms.
• Statistical validation using retention time, dispersion accuracies, and Pearson correlation coefficient.

Main Results:

• Pore diffusion controlled β-lactoglobulin separation, while adsorption/desorption kinetics dominated BSA separation.
• The reactive dispersive model coupled with steric mass action (RDM-SMA) provided the most accurate simulations.
• Accurate simulations were achieved at pH 6.0 and across a range of NaCl concentrations (250–400 mM).

Conclusions:

• The RDM-SMA model accurately simulates protein separation in anion exchange monoliths.
• This validated simulation approach can forecast protein purification from complex mixtures like bovine whey.
• The methodology and statistical criteria offer a robust framework for other monolith-based separation simulations.