Kinetic modeling and simulation of high-temperature by-product formation from urea decomposition

Abstract

The Selective catalytic reduction (SCR) technique is widely applied in exhaust gas after-treatment of diesel engines. Depending on operating conditions, injected urea-water solution (UWS) can form liquid films on mixer blades and the pipe wall. Evaporation and subsequent reactions in the wall film can lead to deposits of urea and by-products, respectively. Especially deposits that are not decomposed up to high temperatures are challenging for the SCR technique. Thermogravimetric experiments are conducted for these stable urea by-products, such as ammelide, ammeline and their by-products, such as cyanamide or melamine. An analysis of the evolving gases during thermal decomposition led to a more detailed understanding of the kinetics. The postulated mechanism is able to predict the thermogravimetric analyses results and the effects of variation of the experimental conditions such as initial sample mass and heating rates. The evaluated kinetics, together with the recently developed kinetics for the urea/biuret/triuret/cyanuric acid system Tischer et al. (2019), can now be integrated into CFD simulations of SCR systems to numerically simulate all relevant physical and chemical processes in UWS equipped aftertreatment systems for a wide range of conditions.