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In this paper, a model-based linear estimator and a non-linear control law for an Fe-zeolite urea-selective catalytic reduction (SCR) catalyst for heavy duty diesel engine applications is presented. The novel aspect of this work is that the relevant species, NO, NO2 and NH3 are estimated and controlled independently. The ability to target NH3 slip is important not only to minimize urea consumption, but also to reduce this unregulated emission. Being able to discriminate between NO and NO2 is important for two reasons. First, recent Fe-zeolite catalyst studies suggest that NOx reduction is highly favored by the NO 2 based reactions. Second, NO2 is more toxic than NO to both the environment and human health. The estimator and control law are based on a 4-state model of the urea-SCR plant. A linearized version of the model is used for state estimation while the full nonlinear model is used for control design.

Model-based control strategies are important for meeting the dual objective of maximizing NOx reduction and minimizing NH3 slip in urea-SCR catalysts. To be implementable on the vehicle, the models should capture the essential behavior of the system, while not being computationally intensive. This paper discusses the adequacy of two different reduced order SCR catalyst models and compares their performance with a higher order model. The higher order model assumes that the catalyst has both diffusion and reaction kinetics, whereas the reduced order models contain only reaction kinetics. After describing each model, its parameter identification and model validation based on experiments on a Navistar I6 7.6L engine are presented. The adequacy of reduced order models is demonstrated by comparing the NO, NO2 and NH3 concentrations predicted by the models to their concentrations from the test data.

In order to further characterize and optimize the performance of Selective Catalytic Reduction (SCR) aftertreatment systems used on heavy-duty diesel engines, an accurately calibrated high-fidelity multi-step global kinetic SCR model and a reduced order estimator for on-board diagnostic (OBD) and control are desirable. In this study, a Cu-zeolite SCR catalyst from a 2010 Cummins ISB engine was experimentally studied in a flow reactor using carefully designed protocols. A 2-site SCR model describing mass transfer and the SCR chemical reaction mechanisms is described in the paper. The model was calibrated to the reactor test data sets collected under temperatures from 200 to 425 °C and SCR space velocities of 60000, 90000, and 120000 hr-1. The model parameters were calibrated using an optimization code to minimize the error between measured and simulated NO, NO₂, N₂O, and NH₃ gas concentration time histories.

Urea/SCR systems have been proven effective at reducing NOx over a wide range of operating conditions on mid/heavy duty diesel vehicles. However, design changes due to reduction in the size of modern compact Urea/SCR systems and lower exhaust temperature have increased the possibility of urea deposit formation. Urea deposits are formed when urea in films and droplets undergoes undesirable secondary reactions and generate by-products such as ammelide, biuret and cyanuric Acid (CYA). Ammelide and CYA are difficult to decompose which lead to the formation of solid deposits on the surface. This phenomenon degrades the performance of the after treatment system by decreasing overall mixing efficiency, lowering de-NOx efficiency and increasing pressure drop. Therefore, mitigating urea deposits is a primary design goal of modern diesel after-treatment systems.

Urea water solution-based Selective Catalytic Reduction (SCR) of NOx emissions from vehicular diesel engines is now widely used world-wide to meet strict health and environmental protection regulations. While urea-based SCR is proven effective, urea-derived deposits often form near injectors, on mixers and pipes, and on the SCR catalyst face. Further understanding of these deposit-formation processes is needed to design aftertreatment system hardware and control systems capable of avoiding severe urea-derived deposits. Computational Fluid Dynamics (CFD) is widely used in SCR aftertreatment design. Film formation, movement, solid wall cooling and deposit initiation/growth time-scales are in the range of minutes to hours, but traditional CFD simulations take too long to reach these time-scales. Here, we propose and demonstrate the frozen flow approach for pulsed sprays and conjugate heat transfer to reduce computation time while maintaining accuracy of key physics.

In order to assist in fast design cycle of Diesel engines selective catalytic reduction (SCR) exhaust systems, significant endeavor is currently being made to improve numerical simulation accuracy of urea thermo-hydrolysis. In this article, the achievements of a recently developed urea semi-detailed decomposition chemical scheme are assessed using three available databases from the literature. First, evaporation and thermo-hydrolysis of urea-water solution (UWS) single-droplets hanged on a thin thermocouple ring (127 μm) as well as on a thick quartz (275 μm), have been simulated at ambient temperature conditions ranging from 473K to 773K. It has been shown that the numerical results, in terms of evaporation rate and urea gasification, as well as droplet temperature history are very close to the experiments if the heat flux coming from the droplet support is properly accounted for.

Urea-water solution (UWS) injection combined with Selective Catalytic Reduction (SCR) has developed as an effective method of meeting EPA and EURO NOx emissions regulations for diesel engines. Urea/SCR systems encompass a wide range of engine sizes, from light duty vehicles to large ship or power generation engines. One key challenge faced by modern urea/SCR systems is the formation of solid deposits of urea decomposition by-products that are difficult to remove. These deposits are proven to be detrimental to urea/SCR systems by decreasing ammonia uniformity, clogging injector nozzles and increasing pressure drop of the whole system. Urea deposits only form in a narrow range of wall temperatures and take many minutes to hours to form. The decomposition of urea into deposits begins with the formation of biuret and then progresses into the crystalline species cyanuric acid (CYA), ammelide, and ammeline.

The proposed Euro 7 regulation aims to substantially reduce the NOx emissions to 0.03 g/km, a trend also seen in upcoming China 6b and US EPA regulations. Meeting these stringent requirements necessitates advancements in Urea/Selective Catalytic Reduction (SCR) aftertreatment systems, with the urea deposit formation being a key challenge to its design. It’s proven that Computational Fluid Dynamics (CFD) can be an effective tool to predict Urea deposits. Transient wall temperature prediction is crucial in Urea deposit modeling. Additionally, fully understanding the kinetics of urea decomposition and by-products solidification are also critical in predicting the deposit amount and its location. In this study, we introduce (i) a novel film boiling model (IFPEN-BRT model) and (ii) a new urea by-product solidification model in the CONVERGE CFD commercial solver, and validate the results against the recent experiments.