A computer software package for the simulation and optimization of an industrial ammonia converter based on a rigorous heterogeneous model

A computer package for the modelling, simulation and optimization of an ammonia reactor is developed for use on personal computers. The package is easy to use with user friendly interface utilizing the graphical capabilities of the personal computer. The model used in the package is a heterogeneous model, which has been checked against an industrial reactor having three adiabatic beds with interstage cooling, and gave excellent agreement with the industrial data. The two-point boundary value differential equation for the catalyst particles is solved using the orthogonal collocation method and three internal collocation points are necessary to obtain accurate results. The model is used to investigate the optimal behavior of the reactor.