Numerical Analysis of Urea to Ammonia Conversion in Automotive Selective Catalytic Reduction Realistic Conditions

• Published in: Industrial & engineering chemistry research 2021-10, Vol.60 (39), p.14329-14340
• Main Authors: Payri, Raúl, Bracho, Gabriela, Martí-Aldaraví, Pedro, Marco-Gimeno, Javier
• Format: Article
• Language: English
• Subjects: Thermodynamics, Transport, and Fluid Mechanics
• ISSN: 0888-5885; 1520-5045
• DOI: 10.1021/acs.iecr.1c02627

The selective catalytic reduction (SCR) is a technology employed for NO x reduction purposes which is based on the injection of an Urea Water Solution (UWS) into the exhaust line. Conversion of this injected urea into ammonia is a key step to ensure high SCR efficiency. In order to study this phenomenon, a three-dimensional model of the urea–water injection process has been created to recreate realistic conditions. A Lagrangian–Eulerian approach has been followed to model liquid and gas phases, respectively. Droplet evaporation as well as relevant chemical processes have been included to recreate the thermolysis and hydrolysis phenomena, and the results have been validated against literature data. Then, the validated model has been applied to recreate an in-house experimental facility that measured spray macroscopic and microscopic characteristics by means of diffused back illumination (DBI) visualization. Probability density functions of the UWS droplet sizes as well as the velocity distributions have been obtained at three different regions of interest to be compared with the experimental data set. Contours of isocyanic acid and ammonia mass fractions have been included to show the chemical transformation from urea into its products. The model accurately replicates the experimental results, and it stands as a good methodology to predict the main spray characteristics as well as the chemical processes that take place in actual SCR systems.