Multi-scale SCR modeling, 1D kinetic analysis and 3D system simulation

Future emission limits of diesel engines require additional effort for developing adequate and advanced exhaust gas aftertreatment devices. Urea-SCR systems are a promising approach to reduce nitric oxide emissions. Computer models as a complementary tool to experimental investigations help to make design decisions and to shorten the development process. Therefore, this work presents a comprehensive SCR simulation approach. All relevant conversion reactions are studied in a 1d model. The obtained parameters are transferred to 3d simulations and combined with a detailed description of the urea injection. Validation simulations are performed for the individual SCR reactions and show good agreement with experimental data. 1d studies of different SCR assemblies and sizes are presented. Full 3d simulations of an HSO system considering injection, homogeneous gas phase and catalytic reaction show the interaction of all relevant effects and their impact on the overall deNOx performance.

[1]  L. Hegedus,et al.  Design of monolith catalysts for power plant nitrogen oxide (No.+-.) emission control , 1991 .

[2]  Alexander Wokaun,et al.  Hydrolysis of Isocyanic Acid on SCR Catalysts , 2000 .

[3]  Pio Forzatti,et al.  Transient response method applied to the kinetic analysis of the DeNOx–SCR reaction , 2001 .

[4]  R. E. Hayes,et al.  Introduction to Catalytic Combustion , 1998 .

[5]  G. Froment,et al.  Chemical Reactor Analysis and Design , 1979 .

[6]  J. A. A. Tillaart,et al.  Improved SCR Systems for Heavy Duty Applications , 2000 .

[7]  W. L. Prins,et al.  Design and experience with catalytic reactors for SCR-DENOX , 1993 .

[8]  Pio Forzatti,et al.  Unsteady Analysis of NO Reduction over Selective Catalytic Reduction−De-NOx Monolith Catalysts , 1998 .

[9]  Johann C. Wurzenberger,et al.  1D/3D-Simulations-Workflow: Optimierung von Komponenten der Abgasnachbehandlung , 2004 .

[10]  J. G. Stevens,et al.  Catalytic Combustion Modeling; Comparisons With Experimental Data , 1977 .

[11]  Pio Forzatti,et al.  Dynamics of SCR reaction over a TiO2-supported vanadia–tungsta commercial catalyst , 2000 .

[12]  J. Dukowicz.  A particle-fluid numerical model for liquid sprays , 1980 .

[13]  M. Elsener,et al.  Selective catalytic reduction of NO over commercial DeNOx-catalysts: experimental determination of kinetic and thermodynamic parameters , 1998 .

[14]  Paul Spurk,et al.  Modeling of SCR DeNOx Catalyst - Looking at the Impact of Substrate Attributes , 2003 .

[15]  T. Turek,et al.  Kinetic analysis of selective catalytic NOx reduction (SCR) in a catalytic filter , 2003 .

[16]  J. C. Wurzenberger,et al.  1D and 3D CFD Simulation of Exhaust-Gas Aftertreatment Devices: Parameter Optimization via Genetic Algorithm , 2004 .

[17]  M. Elsener,et al.  Selective catalytic reduction of NO and NO2 at low temperatures , 2002 .

[18]  Alfons Baiker,et al.  Selective reduction of NO by NH3 over vanadia-based commercial catalyst: Parametric sensitivity and kinetic modelling , 1996 .

[19]  Roland Wanker,et al.  A fully distributed model for the simulation of a catalytic combustor , 2000 .

[20]  M. Elsener,et al.  Urea-SCR: a promising technique to reduce NOx emissions from automotive diesel engines , 2000 .

[21]  E. Tronconi,et al.  Experimental and theoretical investigation of the dynamics of the SCR - DeNOx reaction , 1996 .

[22]  Don W. Green,et al.  Perry's Chemical Engineers' Handbook , 2007 .

[23]  R. Tatschl,et al.  Computergestützte Optimierung des Abgasnachbehandlungssystems für den neuen 1,8-l-Valvetronic-Motor von BMW , 2002 .

[24]  J. Dukowicz.  Quasi-steady droplet phase change in the presence of convection , 1979 .

[25]  Pio Forzatti,et al.  Transient kinetic study of the SCR-DeNOx reaction , 1998 .

[26]  Robert J. Kee,et al.  CHEMKIN-III: A FORTRAN chemical kinetics package for the analysis of gas-phase chemical and plasma kinetics , 1996 .