Mathematical modeling of the competitive sorption dynamics of acetone–butanol–ethanol on KA-I resin in a fixed-bed column

The recovery and purification of biobutanol based on the adsorption method were performed in dynamic conditions. Computational and theoretical modeling is an important tool in the characterization, development, and validation of fixed-bed columns. Relevant breakthrough curves provide valuable information for designing fixed-bed adsorption processes for field applications. In the present study, a general rate model (GRM), implementing convection/diffusion approach theory and a competitive isotherm model, was used to predict the competitive sorption dynamics of acetone–butanol–ethanol (ABE) on a KA-I resin in a fixed-bed column under different operating conditions, i.e., inlet feed flow rate, initial adsorbate concentration, and bed height. The model simulation was quantified by the absolute average deviation (AAD). The calculated AAD values, ranging from 0.05 to 0.1, indicated that the GRM gives a general prediction for experimental data. The axial dispersion, external mass transfer, and pore diffusion coefficients were calculated by a series of empirical correlations. Biot number was used to identify the rate controlling step for the adsorption process of ABE on the resin. And the pore diffusion coefficient was found to be major governing factor for adsorption of ABE. The data and modeling presented are valuable for designing the continuous chromatographic separation process and simulation of ABE.