화학공학소재연구정보센터
Computers & Chemical Engineering, Vol.26, No.3, 461-466, 2002
On approximate calculation of multicomponent mass transfer
The two methods for calculating mass transfer with the Maxwell-Stefan approach in unit operation or reactor models are considered. In the first case, mass transfer needs to be calculated separately from the unit operation model in an inner iteration loop. In which case the set of equations to be solved for the multicomponent mass transfer fluxes can be formulated, with suitable simplifications, in a compact way that appears to be noticeably simpler than those presented in the literature so far. In this case, no complicated matrix or scalar function calculations are needed during the iterative solution of the interphasial mass transfer fluxes, even though the multicomponent nature of the Maxwell-Stefan model is retained. Computationally, the solution of mass transfer fluxes is then equal or easier than the solution of an equilibrium flash model. In the second case, mass transfer is calculated simultaneously with other unit operation model equations. Then the mass transfer coefficient correlation and the high flux correction can be combined with the mass transfer flux equation, to be solved with the approximate matrix function method presented earlier by the author. This results in a very simple but still accurate formulation of the mass transfer fluxes.