Simulations of chemical absorption in pilot-scale and industrial-scale packed columns by computational mass transfer

A complex computational mass transfer model (CMT) is proposed for modeling the chemical absorption process with heat effect in packed columns. The feature of the proposed model is able to predict the concentration and temperature as well as the velocity distributions at once along the column without assuming the turbulent Schmidt number, or using the experimentally measured turbulent mass transfer diffusivity. The present model consists of the differential mass transfer equation with its auxiliary closing equations and the accompanied formulations of computational fluid dynamics (CFD) and computational heat transfer (CHT). In the mathematical expression for the accompanied CFD and CHT, the conventional methods of k-epsilon and (t(2)) over bar-epsilon(t) are used for closing the momentum and heat transfer equations. While for the mass transfer equation, the recently developed concentration variance 2 and its dissipation rate cc equations (Liu, 2003) are adopted for its closure. To test the validity of the present model, simulations were made for a pilot-scale randomly packed chemical absorption column of 0.1 in ID and 7 in high, packed with 1/2" ceramic Ber1 saddles for CO2 removal from gas mixture by aqueous monoethanolamine (MEA) solutions (Tontiwachwuthikul et al., 1992) and an industrial-scale randomly packed chemical absorption column of 1.9m ID and 26.6m high, packed with 2" stainless steel Pall rings for CO2 removal from natural gas by aqueous MEA solutions (Pintola et al., 1993). The simulated results were compared with the published experimental data and satisfactory agreement was found between them in both concentration and temperature distributions. Furthermore, the result of computation also reveals that the turbulent mass transfer diffusivity D-t varies along axial and radial directions. Thus the common viewpoint of assuming constant Dt throughout the whole column is questionable, even for the small size packed column. Finally, the analogy between mass transfer and heat transfer in chemical absorption is demonstrated by the similarity of their diffusivity profiles. (c) 2006 Elsevier Ltd. All fights reserved.