Numerical simulation of CO₂ diffusion and reaction into aqueous solutions of different absorbents

A numerical model comprising a system of partial differential equations was set up to describe the diffusion and reaction of carbon dioxide into aqueous solutions of different absorbents. The solution of the governing equation was a function of the physical and chemical parameters involved, such as Henry constant, diffusion coefficients and reaction rates. Although these parameters have been estimated and reported in literature, uncertainty still exists about their reliability. Comparison between numerical predictions and experimental values from specifically designed experiments shows them to be in good agreement, thus increasing the confidence on the correctness of these parameters, which form then the basis for a proper design of industrial units.