Stewart, Mark L | Engineering Papers

DOE OSTI2012

CLEERS Aftertreatment Modeling and Analysis

DOE FY 2011 Advanced Combustion Technologies Annual Report. CLEERS is a research and development focus project of the Diesel Cross-Cut Team. The overall objective is to promote the development of improved computational tools for simulating realistic full-system performance of lean-burn engines and the associated emissions control systems. Three fundamental research projects are sponsored at PNNL through CLEERS: DPF, SCR, and LNT. Resources are shared between the three efforts in order to actively respond to current industrial needs. In FY 2011, more emphasis was placed on the SCR and LNT activities because of urgent application issues associated with these technologies. Objectives of this project are to lead and contribute to the Cross-Cut Lean Exhaust Emissions Reduction Simulations (CLEERS) activities - (a) Provide project updates to the industry sub-team, solicit feedback, and adjust work scope accordingly; and (b) Lead technical discussions, invite distinguished speakers, and maintain an open dialogue on selective catalytic reduction (SCR), lean-NOx trap (LNT), and diesel particulate filter (DPF) modeling issues. Fiscal Year (FY) 2011 Objectives are to: (1) Develop improved modeling capabilities for SCR and DPFs through fundamental experiments; and (2) Develop a fundamental understanding of SCR and LNT catalysts with primary focus on reaction mechanisms and material characterization. Some accomplishments are: (1) Participated in monthly CLEERS teleconferences and coordinated the calls focused on SCR, LNT and DPF technologies; (2) Updated PNNL's SCR model for the state-of-the-art commercial Cu-zeolite SCR catalyst to extract kinetic parameters and to quantitatively describe the effects of hydrothermal aging; (3) Examined the effects of hydrothermal aging on the physicochemical properties and SCR reactions using the commercial Cu catalyst in collaboration with Oak Ridge National Laboratory (ORNL); (4) Investigated the nature of Cu species and obtained kinetic parameters for small-pore zeolite-based Cu SCR catalyst. (5) Examined the effects of support materials for Ba-based LNT catalysts, and found magnesium aluminate may improve the oxides of nitrogen (NO{sub x}) reduction performance at high temperatures; (6) Investigated soot oxidation mechanisms for relevant oxidants (O{sub 2}, NO{sub 2}) through reactor experiments and transmission electron spectroscopy (TEM) analysis; (7) Seven publications and 21 public presentations (eight invited) during the past FY; and (8) Co-organized sessions on emission control and modeling for the SAE World Congress and the American Society of Mechanical Engineers Internal Combustion Engine Conference.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2010

A Semi-Implicit Lattice Method for Simulating Flow

We propose a new semi-implicit lattice numerical method for modeling fluid flow that depends only on local primitive variable information (density, pressure, velocity) and not on relaxed upstream distribution function values. This method has the potential for reducing parallel communication and permitting larger time steps compared to the lattice Boltzmann method. The lid-driven cavity is modeled to demonstrate the accuracy of the method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2010

Fuel Efficient Diesel Particulate Filter (DPF) Modeling and Development

The project described in this report seeks to promote effective diesel particulate filter technology with minimum fuel penalty by enhancing fundamental understanding of filtration mechanisms through targeted experiments and computer simulations. The overall backpressure of a filtration system depends upon complex interactions of particulate matter and ash with the microscopic pores in filter media. Better characterization of these phenomena is essential for exhaust system optimization. The acicular mullite (ACM) diesel particulate filter substrate is under continuing development by Dow Automotive. ACM is made up of long mullite crystals which intersect to form filter wall framework and protrude from the wall surface into the DPF channels. ACM filters have been demonstrated to effectively remove diesel exhaust particles while maintaining relatively low backpressure. Modeling approaches developed for more conventional ceramic filter materials, such as silicon carbide and cordierite, have been difficult to apply to ACM because of properties arising from its unique microstructure. Penetration of soot into the high-porosity region of projecting crystal structures leads to a somewhat extended depth filtration mode, but with less dramatic increases in pressure drop than are normally observed during depth filtration in cordierite or silicon carbide filters. Another consequence is greater contact between the soot and solid surfaces, which may enhance the action of some catalyst coatings in filter regeneration. The projecting crystals appear to provide a two-fold benefit for maintaining low backpressures during filter loading: they help prevent soot from being forced into the throats of pores in the lower porosity region of the filter wall, and they also tend to support the forming filter cake, resulting in lower average cake density and higher permeability. Other simulations suggest that soot deposits may also tend to form at the tips of projecting crystals due to the axial velocity component of exhaust moving down the filter inlet channel. Soot mass collected in this way would have a smaller impact on backpressure than soot forced into the flow restrictions deeper in the porous wall structure. This project has focused on the development of computational, analytical, and experimental techniques that are generally applicable to a wide variety of exhaust aftertreatment technologies. By helping to develop improved fundamental understanding pore-scale phenomena affecting filtration, soot oxidation, and NOX abatement, this cooperative research and development agreement (CRADA) has also assisted Dow Automotive in continuing development and commercialization of the ACM filter substrate. Over the course of this research project, ACM filters were successfully deployed on the Audi R10 TDI racecar which won the 24 Hours of LeMans endurance race in 2006, 2007, and 2008; and the 12 Hours of Sebring endurance race in 2006 and 2007. It would not have been possible for the R10 to compete in these traditionally gasoline-dominated events without reliable and effective exhaust particulate filtration. These successes demonstrated not only the performance of automotive diesel engines, but the efficacy of DPF technology as it was being deployed around the world to meet new emissions standards on consumer vehicles. During the course of this CRADA project, Dow Automotive commercialized their ACM DPF technology under the AERIFYTM DPF brand.

33 ADVANCED PROPULSION SYSTEMS↗