The scale-up of high temperature chemical reactors

Thermochemical simulation of reactive high temperature reaction mixtures has been performed by combining overall reaction kinetics with the multi-component Gibbs energy minimisation. The mass and heat transfer conditions of the reactor were combined with the enthalpy changes due to chemical reactions. Consequently, the change of temperature in the reactive system was calculated in terms of the extent of the overall reaction. ChemSheet was used as the modelling environment. The example shows simulation of a titanium(IV)chloride burner, known for its wide industrial use in TiO2-pigment manufacture. The described method can be applied for several other multi-component reactors