Numerical Simulation of Transport Phenomena by Diffusion, Convection and Surface in Chromatographic Columns

Abstract

The mass transport phenomena are present in several and relevant industrial processes where the study can provide many benefits related to separation systems design. In this work we carried out the computational modeling of three different transport phenomena in chromatographic column, being evaluated the diffusion, the convection and the surface kinetic by adsorption and desorption. It was employed the finite difference and Runge-Kutta 4th order methods in the numerical solutions of the partial and ordinary differential equations, respectively. From the simulation results were observed that the axial dispersion coefficient, velocity and the kinetic constants of adsorption and desorption have significant influence on the separation process dynamic of molecules percolating the porous of the chromatographic column. In the case of diffusion the axial dispersion coefficient showed great influence on the time to reach the stead state regime of the column. The effect of the axial dispersion coefficient in the mass transport was lower in the case of advection in which the significant contribution comes from the field of velocity inside the column.The modeling of mass transport through the kinetic of molecules on the adsorbent surface showed simulations results in which the kinetic parameters of adsorption and desorption can influence significantly the maximum capacity of adsorption of the adsorbent material.
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