Computational simulations of breakthrough curves in cAMP adsorption processes in ion-exchange bed under hydrodynamic flow

Computational and theoretical modeling has become an important tool for the characterization, development and validation of packed beds. Relevant breakthrough curves would provide much valuable information on designing a fixed bed adsorption process in field applications. In this study, the hydrodynamic properties involved in the Navier–Stokes flow equation, such as velocity, pressure and permeability, in a packed bed were investigated. A two dimensional (2D) model based on the convection/diffusion approach theory and the Nernst–Planck model was adopted to describe the breakthrough curves of adenosine 3′,5′-cyclic monophosphate (cAMP) adsorption onto a porous resin adsorbent, SD-13, from an aqueous solution. The relevant ordinary partial equations were solved in COMSOL Multiphysics Software friendly and efficiently. Column experiments were performed at different conditions to verify the model, and the results indicated that the model describes well the breakthrough curves. The behaviors of exchanged counter-ion (Cl−) in cAMP adsorption experiments were also predicted well.

► A 2D model considering radial heterogeneity well simulated the breakthrough curves.
► Parameters of cAMP including Dp and kf were fitted by this model.
► The hydrodynamics such as velocity and permeability was researched.
► PDEs were solved in COMSOL Multiphysics friendly and efficiently.
► The behavior of Cl− exchanged by cAMP in adsorption experiments was predicted well.