Publications

Circuit simulation tools (e.g., SPICE) have become invaluable in the development and design of electronic circuits. Similarly, device-scale simulation tools (e.g., DaVinci) are commonly used in the design of individual semiconductor components. Some problems, such as single-event upset (SEU), require the fidelity of a mesh-based device simulator but are only meaningful when dynamically coupled with an external circuit. For such problems a mixed-level simulator is desirable, but the two types of simulation generally have different (sometimes conflicting) numerical requirements. To address these considerations, we have investigated variations of the two-level Newton algorithm, which preserves tight coupling between the circuit and the partial differential equations (PDE) device, while optimizing the numerics for both.

This report describes the development of bulk hydrous titanium oxide (HTO)- and silica-doped hydrous titanium oxide (HTO:Si)-supported Pt catalysts for lean-burn NOx catalyst applications. The effects of various preparation methods, including both anion and cation exchange, and specifically the effect of Na content on the performance of Pt/HTO:Si catalysts, were evaluated. Pt/HTO:Si catalysts with low Na content (< 0.5 wt.%) were found to be very active for NOx reduction in simulated lean-burn exhaust environments utilizing propylene as the major reductant species. The activity and performance of these low Na Pt/HTO:Si catalysts were comparable to supported Pt catalysts prepared using conventional oxide or zeolite supports. In ramp down temperature profile test conditions, Pt/HTO:Si catalysts with Na contents in the range of 3-5 wt.% showed a wide temperature window of appreciable NOx conversion relative to low Na Pt/HTO:Si catalysts. Full reactant species analysis using both ramp up and isothermal test conditions with the high Na Pt/HTO:Si catalysts, as well as diffuse reflectance FTIR studies, showed that this phenomenon was related to transient NOx storage effects associated with NaNO{sub 2}/NaNO{sub 3} formation. These nitrite/nitrate species were found to decompose and release NOx at temperatures above 300 C in the reaction environment (ramp up profile). A separate NOx uptake experiment at 275 C in NO/N{sub 2}/O{sub 2} showed that the Na phase was inefficiently utilized for NOx storage. Steady state tests showed that the effect of increased Na content was to delay NOx light-off and to decrease the maximum NOx conversion. Similar results were observed for high K Pt/HTO:Si catalysts, and the effects of high alkali content were found to be independent of the sample preparation technique. Catalyst characterization (BET surface area, H{sub 2} chemisorption, and transmission electron microscopy) was performed to elucidate differences between the HTO- and HTO:Si-supported Pt catalysts and conventional oxide- or zeolite-supported Pt catalysts.