Abstract: In this paper a packed column model is developed for distillation of mul-ticomponent mixtures with simultaneous heterogeneous catalytic reaction. As the boundary conditions of the differential equation system are unknown, but restricted by the material balance of the whole column, its solution becomes a difficult boundary value problem. By applying the multishooting method and Newton-Raphson iteration procedure, an effective algorithm for the solution of the model is developed. The whole packed bed is divided into several sections. Mole fractions of the liquid phase at interfaces of these sections xij, mole flow rates profile of the Vapour phase V(z) and reaction rates in these sections Rj are chosen as iterative variables. An inner loop and an outer loop are involved. The inner loop is for xij, Rj and the outer loop is for V(z). A rapid ands table convergence is finally achieved. The proposed simulation algorithm is also applicable for distillation with simultaneous non-catalytic reaction. Theoretical predictions are compared with experimental results, and good agreement is obtained.