A new modular process modelling tool has been developed to support the design and operation of metallurgical processes. A modelling concept was formulated and a flowsheeting software tool has been developed for the calculation of complex non-equilibrium phenomena. To test both the basic approach and software tool, the modelling and simulation of a LD converter process was undertaken. The validation of the simulation model shows good agreement of reported and calculated values for species concentration and temperature development in time. The aim of this approach is to achieve a high degree of accuracy in modelling and, at the same time, to correspond to the speed requirements of day to day design work. It is intended to extend the current research to obtain a tool not only for the design and simulation of established processes, but also for the computer-aided development of new process routes.

Even though in high-temperature processes reaction rates are usually high, deviations from equilibrium are caused by locally considerably limited heat and mass transfer, e.g. due to incomplete mixing. A modelling concept was developed to enable the calculation of such complex non-equilibrium phenomena. It consists of a modelling technique and a software tool. With the modelling technique, a process is simulated using an appropriate arrangement of local equilibrium reactors coupled by defined heat and mass transfer. Heat and mass transfer are calculated from process boundary conditions. A modular software tool was newly developed incorporating the thermochemical applications library ChemApp(R). The simulation of a LD-Converter process was undertaken applying the concept. The validation of the simulation model shows good agreement between reported and calculated values for species concentration and temperature development in time.

An analysis of high-temperature multiphase processes shows considerable deviations from thermodynamic and chemical equilibrium. These can be attributed to limited heat and mass transfer, e.g., caused by incomplete mixing. A modelling technique is developed to enable the calculation of such complex non-equilibrium phenomena. With this technique, a process is simulated using an appropriate arrangement of simple, local equilibrium reactors coupled by defined heat and mass exchange. As an example, the simulation of an LD-converter process was undertaken with focus on non-equilibrium phenomena. In modelling, great emphasis was placed on a state of the art representation of the thermochemistry of the material systems involved. The validation of the simulation model shows good agreement between reported and calculated values for species concentration and temperature development over time. Real-process phenomena can be predicted.