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DOE OSTI2021

Hydrothermal catalysis of waste greases into green gasoline, jet, and diesel biofuels in continuous flow supercritical water

Production of green gasoline, jet, and diesel biofuels from waste greases was achieved using a novel hydrothermal, continuous-flow catalytic process operating under supercritical water conditions, with recycled water the only added chemical. Thermally and chemically stable catalysts were explored to optimize yields of liquid biofuels and to minimize production of gases and acidic compounds. A 50:50 mixture of brown and yellow waste greases converted into 76.6 wt% liquid biocrude (BC); the remainder converted to water and gases. Less than 0.2% of the FS formed carbon char (mainly amongst catalyst particles). Various tubular reactors (Inconel, ® Hastelloy®, titanium, stainless) showed no interior defects, erosion, or mass loss after runs. Here, the titanium catalyst was fully recovered and regenerated back to its original potency. The BC was further refined into 28%, 48%, 20%, and 4 wt%, respectively for green gasoline, jet, diesel, and bunker. Biofuels were analyzed for compound class compositions and reaction mechanisms were proposed. The hundreds of identified fuel products (C3-C35) from processing oleic acid as a pure model compound were identified. The neat green gasoline and diesel biofuels along with a 50% green jet blend (with petroleum Jet A) were tested in appropriate spark ignition, turbine, and diesel engines at University of MN Engine Labs. Biofuels achieved 107.7%, 97.2%, and 101.3% engine power performance levels relative to petroleum fuels (91-Octane, Jet A, #2 Diesel) along with lower CO and pollutant emissions. Biofuels passed ASTM fuel specifications (D4814, D7566, D975) including mandated corrosion and low sulfur limits of all three biofuels.

09 BIOMASS FUELS↗

DOE OSTI2025

Investigating the Combustion Performance of Dual Fuel Combustion with Diesel and Port Injected Hydrogen in a Large Bore Locomotive Engine

The heavy-duty transportation sector has primarily relied on conventional diesel combustion engines given their reliability and high thermal efficiency relative to spark ignition engines, but increased focus on reducing greenhouse gas emissions has led to investigation into alternative fuels. Gaseous hydrogen fuel has garnered a great deal of recent interest in the engine community given it has zero carbon, but hydrogen is not available at the scale and cost that petroleum fuels are currently available, and this is a barrier to adoption for industries that are looking to decarbonize their operations. Because of the fuel flexibility provided, dual fuel technology offers a pathway for some industries to adopt hydrogen as a fuel source while maintaining sufficient flexibility in times and locations where the new fuel is not yet available. This computational study investigates dual fuel combustion in a large bore locomotive engine architecture using direct injected diesel and port injected gaseous hydrogen fuel. With an optimal port fuel injection configuration from previous work, simulations of varying substitution ratio, compression ratio, manifold air temperature, diesel injection timing, and diesel injection pressure were performed to understand their effect on combustion performance. Results indicated that both increased substitution ratio and higher intake air temperature accelerates hydrogen flame propagation and can result in high peak cylinder pressures. Additionally, diesel injection timing and injection pressure were demonstrated as effective methods for controlling dual fuel combustion heat release rates.

ODonnell, Patrick Christopher↗

DOE OSTI2021

Ducted Fuel Injection and Cooled Spray Technologies for Particulate Control in Heavy-Duty Diesel Engines

Heavy-Duty diesel engine manufacturers are continuously in pursuit of simple and low-cost technologies that can reduce emissions. Ducted fuel injection (DFI) and Cooled Spray (CS) technologies are two technologies that continue to show promise for significant particulate emissions reductions. These technologies represent a breakthrough in diesel engine combustion from the potential of nearly sootless diesel combustion. This can provide a significant decrease in harmful PM emissions and may enable further system optimization for reduced NOx emissions and increased efficiency. Combustion vessel experiments and engine demonstrations at Sandia, together with the large bore engine tests performed by Wabtec show that this technology may be applicable to heavy duty diesel engines across a wide range of engine sizes and speeds representing the majority of off-road diesel engines. However, very little is known about the ideal geometry, scaling properties or effectiveness of these technologies over the engine operating map. This project will address those uncertainties through a series of experiments performed in an optical and a metal single-cylinder engine.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1975

Combustor exhaust-emissions and blowout-limits with diesel number 2 and jet A fuels utilizing air-atomizing and pressure atomizing nozzles

Experimental tests with diesel number 2 and Jet A fuels were conducted in a combustor segment to obtain comparative data on exhaust emissions and blowout limits. An air-atomizing nozzle was used to inject the fuels. Tests were also made with diesel number 2 fuel using a pressure-atomizing nozzle to determine the effectiveness of the air-atomizing nozzle in reducing exhaust emissions. Test conditions included fuel-air ratios of 0.008 to 0.018, inlet-air total pressures and temperatures of 41 to 203 newtons per square centimeter and 477 to 811 K, respectively, and a reference velocity of 21.3 meters per second. Smoke number and unburned hydrocarbons were twice as high with diesel number 2 as with Jet A fuel. This was attributed to diesel number 2 having a higher concentration of aromatics and lower volatility than Jet A fuel. Oxides of nitrogen, carbon monoxide, and blowout limits were approximately the same for the two fuels. The air-atomizing nozzle, as compared with the pressure-atomizing nozzle, reduced oxides-of-nitrogen by 20 percent, smoke number by 30 percent, carbon monoxide by 70 percent, and unburned hydrocarbons by 50 percent when used with diesel number 2 fuel.

Ingebo, R. D.↗

NASA NTRS1983

Advanced automotive diesel assessment program

Cummins Engine Company completed an analytical study to identify an advanced automotive (light duty) diesel (AAD) power plant for a 3,000-pound passenger car. The study resulted in the definition of a revolutionary diesel engine with several novel features. A 3,000-pound car with this engine is predicted to give 96.3, 72.2, and 78.8 MPG in highway, city, and combined highway-city driving, respectively. This compares with current diesel powered cars yielding 41.7, 35.0, and 37.7 MPG. The time for 0-60 MPH acceleration is 13.9 sec. compared to the baseline of 15.2 sec. Four technology areas were identified as crucial in bringing this concept to fruition. They are: (1) part-load preheating, (2) positive displacement compounding, (3) spark assisted diesel combustion system, and (4) piston development for adiabatic, oilless diesel engine. Marketing and planning studies indicate that an aggressive program with significant commitment could result in a production car in 10 years from the date of commencement.

Sekar, R.↗

NASA NTRS1985

Design and evaluation of fluidized bed heat recovery for diesel engine systems

The potential of utilizing fluidized bed heat exchangers in place of conventional counter-flow heat exchangers for heat recovery from adiabatic diesel engine exhaust gas streams was studied. Fluidized bed heat recovery systems were evaluated in three different heavy duty transport applications: (1) heavy duty diesel truck; (2) diesel locomotives; and (3) diesel marine pushboat. The three applications are characterized by differences in overall power output and annual utilization. For each application, the exhaust gas source is a turbocharged-adiabatic diesel core. Representative subposed exhaust gas heat utilization power cycles were selected for conceptual design efforts including design layouts and performance estimates for the fluidized bed heat recovery heat exchangers. The selected power cycles were: organic rankine with RC-1 working fluid, turbocompound power turbine with steam injection, and stirling engine. Fuel economy improvement predictions are used in conjunction with capital cost estimates and fuel price data to determine payback times for the various cases.

Hamm, J. R.↗

NASA NTRS1995

Thermal barrier coatings application in diesel engines

Commercial use of thermal barrier coatings in diesel engines began in the mid 70's by Dr,. Ingard Kvernes at the Central Institute for Industrial Research in Oslo, Norway. Dr. Kvernes attributed attack on diesel engine valves and piston crowns encountered in marine diesel engines in Norwegian ships as hot-corrosion attributed to a reduced quality of residual fuel. His solution was to coat these components to reduce metal temperature below the threshold of aggressive hot-corrosion and also to provide protection. The Department of Energy has supported thermal barrier coating development for diesel engine applications. In the Clean Diesel - 50 Percent Efficient (CD-50) engine for the year 2000, thermal barrier coatings will be used on piston crowns and possibly other components. The primary purpose of the thermal barrier coatings will be to reduce thermal fatigue as the engine peak cylinder pressure will nearly be doubled. As the coatings result in higher available energy in the exhaust gas, efficiency gains are achieved through use of this energy by turbochargers, turbocompounding or thermoelectric generators.

Fairbanks, J. W.↗

DOE OSTI2025

Efficiency and emissions of NH3-diesel/bio-pilot dual-fuel combustion in a high-speed four-stroke engine

While dual-fuel ammonia engines are starting to be commercialized for the large low-speed 2-stroke marine engine market, there are still challenges with utilizing ammonia on 4-stroke engines used as auxiliary engines for ocean going vessels and within inland and coastal marine applications. The shorter timescales for high-speed engines pose a particular challenge for low-cetane, high ignition energy fuels like ammonia. In addition to achieving maximum ammonia substitution levels, N2O emissions are a key factor that needs to be understood. This paper reports the results of experiments using a single-cylinder 107mm bore Cummins B-series diesel engine modified for port-fuel injection of gaseous anhydrous ammonia with a direct injection of diesel fuel near-TDC to ignite the premixed ammonia. Combustion data as well as emissions data from an FTIR including NO, NO2, N2O, and unburned ammonia are presented for selected operating points with a focus on high-load operation at 1200rpm with high ammonia energy substitution (over 95% by fuel energy). Several air/fuel ratio conditions are included, sweeping from diesel-like airflow to stoichiometric conditions. The impact of biofuels (biodiesel and renewable diesel) as pilot fuels is also considered. Comparisons for emissions, greenhouse gas performance, and efficiency are made with a conventional diesel combustion baseline. The impact of fuel injection strategy on NOx, N2O, and NH3 emissions is quantified, and the dual-fuel ammonia results on this high-speed 4-stroke engine are expected to provide fundamental insights into further combustion development opportunities for the larger engines used across marine applications.

Kaul, Brian [ORNL] (ORCID:0000000184813620)↗

DOE OSTI2025

Simultaneous Control of Unburned NH 3 and NO x Emissions From High Load Dual-Fuel Ammonia Operation on a High-Speed Diesel Engine Using a Cu-SCR System

Dual-fuel ammonia strategies are being investigated as a promising way to utilize NH 3 as an alternative fuel for internal combustion engines in the maritime sector. One of the remaining barriers to implementing dual-fuel NH 3 combustion strategies is understanding ways to minimize unburned NH 3 and nitrogen oxide (NO x ) emissions from these engines, both of which are elevated relative to a conventional diesel baseline. Selective catalytic reduction (SCR) systems are widely used for lean NO x emission controls for engines across transportation and stationary energy applications. SCR systems use a reducing agent, such as NH 3 , to react with NO x in the exhaust, converting it into nitrogen and water. Typically, NH 3 is injected into the exhaust as a urea solution. In dual-fuel NH 3 engines, where unburned NH 3 is present in the exhaust, an SCR system could be used to mitigate both NH 3 and NO x emissions. The presented work evaluates a commercial copper-zeolite SCR and ammonia slip catalyst system, designed for on-road diesel engine applications, for controlling unburned NH 3 and NO x emissions from a dual-fuel NH 3 combustion engine. The aftertreatment system was installed downstream of a single-cylinder four-stroke diesel engine that has been modified for dual-fuel ammonia use. Furthermore, the emissions were characterized by using a Fourier transform infrared spectrometer for both late- and early-injection diesel pilot strategies over three air–fuel equivalence ratios spanning from 1.6 to 1.0 at 1200 rpm and 12.6 bar IMEP g condition (with greater than 95% ammonia energy fraction). Initial findings indicate that the SCR achieves more than 99% NO x conversion with less than 50 ppm NH 3 slip at air–fuel equivalence ratios greater than 1.4 at the operating conditions investigated. However, these benefits are accompanied by additional N 2 O emissions that are formed over the Cu-SCR.

Catalysts↗

DOE OSTI2021

The compatibility performance of fuel system elastomers with two dioxolane molecules as blends with diesel

The compatibility of 17 elastomers with two dioxolane molecules was assessed by volume change and hardness measurements. Each molecule was blended with diesel in concentrations of 0, 10, 20 and 30 wt.%. The elastomers included two fluorocarbons, six acrylonitrile butadiene rubbers (NBRs), and one each of fluorosilicone, chloroprene rubber (CR), polyurethane, styrene butadiene rubber (SBR), hydrogenated NBR (HNBR), a blend of NBR and PVC (OZO), epichlorohydrin/ ethylene oxide (ECO), ethylene propylene diene monomer (EPDM), and silicone. Specimens of each elastomer were immersed in the test fuels for a period of 4 weeks and measured for property change. Afterwards they were dried at 60°C for 20 h and remeasured. The results showed that the dioxolanes were suitable with many of the elastomers and that the performances were essentially the same for both molecules. The dioxolanes were found to either have negligible impact beyond neat diesel or they produced a small increase in swell. This minimal impact is attributed to the fact that the solubility parameters (especially those associated with polarity and hydrogen bonding) of the dioxolanes are similar to those of diesel. As a result, little change in solubility and hence swell occurred when dioxolane was added to the diesel.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NOx during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

02 PETROLEUM↗

DOE OSTI2024

Diesel Oxidation Catalyst Performance with Biodiesel Formulations

Biodiesel (i.e., mono-alkyl esters of long chain fatty acids derived from vegetable oils and animal fats) is a renewable diesel fuel providing life-cycle greenhouse gas emission reductions relative to petroleum-derived diesel. With the expectation that there would be widespread use of biodiesel as a substitute for ultra-low sulfur diesel (ULSD), there have been many studies looking into the effects of biodiesel on engine and aftertreatment, particularly its compatibility to the current aftertreatment technologies. The objective of this study was to generate experimental data to measure the effectiveness of a current technology diesel oxidation catalysts (DOC) to oxidize soy-based biodiesel at various blend levels with ULSD. Biodiesel blends from 0 to 100% were evaluated on an engine using a conventional DOC. In the steady-state performance test where fuel dosing rate was increased at fixed DOC inlet temperature, B20 performed similarly to ULSD at the lowest flow rate or exhaust temperature over 340 degrees C for medium and high flows. B50 blends performed nearly as well under most conditions. Higher blends exhibited reduced thermal efficiency and DOC outlet temperature with increasing dosing rate under most conditions and required exhaust temperatures over 400 degrees C to achieve or nearly achieve performance similar to ULSD. In the steady-state light of test where fuel dosing rate is fixed but exhaust temperature is increased incrementally, B20 generally performed similarly to ULSD at the highest inlet temperature, with only minor deficiencies at lower temperatures. Higher blends exhibited lower thermal efficiency and did not achieve as high DOC outlet temperatures. In the transient light-off test light-off temperature for ULSD was typically less than 225 degrees C, while for B100 it ranged from 290 degrees C to 330 degrees C. Based on the data set, it can be concluded that biodiesel fuels have a higher light-off temperature primarily because of their higher boiling points, with a minor secondary impact of their lower energy content.

ADVANCED PROPULSION SYSTEMS,BIOMASS FUELS↗

DOE OSTI2025

Experimental investigation of air-fuel equivalence ratio effects on advanced dual-fuel ammonia/diesel combustion on a single-cylinder medium-duty diesel engine at high load

Ammonia (NH 3 ) has garnered significant interest as an alternative fuel for meeting international emissions reduction mandates in sectors with high weight and distance requirements, such as shipping. Technical barriers and unanswered questions remain on the combustion strategies that can maximize ammonia utilization and minimize emissions. Prior research studies at the US Department of Energy’s Oak Ridge National Laboratory have shown strong performance with NH 3 under dual-fuel mode using conventional diesel combustion (CDC) manifold air pressure settings. Diesel airflow was initially used to simplify retrofitting (no turbocharger modification), which resulted in air-fuel equivalence ratios (λ) greater than 1.5. To characterize potential improvements in dual-fuel NH 3 combustion performance at richer in-cylinder conditions, a global λ sweep compared the use of early (E-pilot) and late (L-pilot) single diesel injections. The experiments were conducted at 1200 RPM and 12.8 ± 0.2 bar (75 % load), and λ was varied by decreasing the commanded air flow to the engine at greater than 90 % ammonia energy substitution level. A diesel injection timing sweep was conducted for both the injection strategies at fixed λ, and the timing with the lowest engine-out N 2 O emissions was identified. The results indicated an optimal balance between CO 2,eq and thermal efficiency benefits both E-pilot and l-pilot injection strategy cases compared with CDC at a λ of 1.4. In conclusion, the indicated nitrogen-based emissions exhibited a strong correlation to the ratio of CA5–50 and ignition delay for l-pilot, but no apparent trend emerged for the E-pilot injection strategy at the tested boundary conditions.

Ammonia↗

DOE OSTI2021

Investigation of post-injection strategies for diesel engine Catalyst Heating Operation using a vapor-liquid-equilibrium-based spray model

Most multidimensional engine simulations spend much time solving for non-equilibrium spray dynamics (atomization, collision, vaporization). However, their accuracy is limited by significant grid dependency, and the need for extensive calibration. This is critical for modeling cold-start diesel fuel post injections, which occur at low temperatures and pressures, far from typical model validation ranges. At the same time, resolving micron-scale spray phenomena would render full Eulerian multiphase calculations prohibitive. In this study, an improved phase equilibrium based approach was implemented and assessed for simulating diesel catalyst heating operation strategies. A phase equilibrium solver based on the model by Yue and Reitz [1] was implemented: a fully multiphase CFD solver is employed with an engineering-size engine grid, and fuel injection is modeled using the standard Lagrangian parcels approach. Mass and energy from the liquid parcels are released to the Eulerian multiphase mixture according to an equilibrium-based liquid jet model. An improved phase equilibrium solver was developed to handle large real-gas mixtures such as those from accurate chemical kinetics mechanisms. The liquid-jet model was improved such that momentum transfer to the Eulerian solver better reproduces the physical spray jet structure. Validation of liquid/vapor penetration predictions showed that the model yields accurate results with very limited tuning and low sensitivity to the few calibration constants. In-cylinder simulations of diesel catalyst heating operation strategies showed that capturing spray structure is paramount when short, transient injection pulses and low temperatures are present. Furthermore, the EP model provides improved predictions of post-injection spray structure and ignitability, while conventional spray modeling does not capture the increase of liquid penetration during the expansion stroke. Finally, the only important EP model calibration constant, Cliq, does not affect momentum transfer, but it changes the local charge cooling distribution through the local energy transfer, which makes it candidate to additional research. The results confirm that non-equilibrium spray processes do not need to be resolved in engineering simulations of high-pressure diesel sprays.

42 ENGINEERING↗

DOE OSTI2021

A Review on the Impact of SO 2 on the Oxidation of NO, Hydrocarbons, and CO in Diesel Emission Control Catalysis

A high-efficiency after-treatment technology has been required to meet the increasingly stringent regulations on the emissions of nitrogen oxides (NO x ), hydrocarbons (HCs), and carbon monoxide (CO) exhausts from diesel engine vehicles throughout the world. The diesel oxidation catalyst (DOC) is an indispensable part of a diesel-fueled exhaust system, which mainly functions in the oxidation of unburned HCs and CO to CO 2 and H 2 O (in the case of HCs) and a proportion of NO to NO 2 . However, the DOC will unavoidably be poisoned by trace gaseous SO 2 or accumulated sulfur on the catalyst under real operational conditions and hence impair the overall purification efficiency of the aftertreatment system. There have been significant research efforts from both academia and industry involving sulfur-relevant diesel oxidation chemistry and development of robust sulfur-resistant oxidation catalysts. In this review, we focus on recent advances in the study of SO 2 effects on the catalytic oxidation of NO, HCs, and CO over DOCs, with particular attention to the fundamentals beneath apparent observations of sulfur influence on PGM-based and non-noble metal-based catalysts in the different oxidation reactions. Regeneration methods and design rationale for sulfur-resistant catalysts are also covered. Several challenges in the future research regarding microscopic insights into the SO 2 -influencing mechanism and next-generation sulfur-resistant DOC design are highlighted toward real-world practice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Pulsed laser heating of diesel engine and turbojet combustor soot: Changes in nanostructure and implications

Here, carbonaceous particulate produced by a diesel engine and turbojet engine combustor are analyzed by transmission electron microscopy (TEM) for differences in nanostructure before and after pulsed laser annealing. Soot is examined between low/high diesel engine torque and low/high turbojet engine thrust. Small differences in nascent nanostructure are magnified by the action of high-temperature annealing induced by pulsed laser heating. Lamellae length distributions show occurrence of graphitization while tortuosity analyses reveal lamellae straightening. Differences in internal particle structure (hollow shells versus internal graphitic ribbons) are interpreted as due to higher internal sp3 and O-atom content under the higher power conditions with hypothesized greater turbulence and resulting partial premixing. TEM in concert with fringe analyses reveal that a similar degree of annealing occurs in the primary particles in soot from both diesel engine and turbojet engine combustors—despite the aggregate and primary size differences between these sources. Implications of these results for source identification of the combustion particulate and for laser-induced incandescence (LII) measurements of concentration are discussed with inter-instrument comparison of soot mass from both diesel and turbojet soot sources.

42 ENGINEERING↗

DOE OSTI2023

An Experimental Comparison of Cyclic Variations in Diesel–Natural Gas and POMDME–Natural Gas Dual Fuel Combustion

Abstract Cyclic variations in internal combustion engines are caused by various factors, including combustion mixture stratification, in-cylinder flows, local fluctuations in air-fuel ratio, etc. Cyclic variations have a profound impact on engine performance and emissions. In this study, cyclic variations in dual fuel combustion are analyzed, comparing diesel–natural gas (NG) and polyoxymethylene dimethyl ether (POMDME)-NG dual fuel combustion. Cyclic variability was initially quantified using the coefficient of variation of gross indicated mean effective pressure (IMEPg) computed from experimental cylinder pressure data. The cases analyzed in this study had a coefficient of variation (COV) of IMEPg greater than or around 5%, which was the lower limit of onset of instability for this engine. Experiments were performed at two fixed start of injection (SOI) of high-cetane fuel: 310 CAD and 350 CAD. For all experiments, a constant load of 5 bar IMEPg was maintained, and the intake boost pressure and rail pressure were fixed at 1.5 bar and 500 bar, respectively. For each case, 1000 cycles of cylinder pressure data were recorded, filtered, and processed using an in-house heat release analysis code for each cycle. A comparison between individual cycles and the “ensemble averaged cycle” was made for both diesel–NG and POMDME–NG combustion. For the early SOI of 310 CAD, the peak cylinder pressure fluctuations of individual cycle were found to be ± 15 bar for both fuel combinations, compared to the ensemble averaged cycle, and < 1/10th of the cycles had an IMEPg lower than 0.05 bar of the ensemble averaged cycle. However, the peak pressure fluctuations were found to be lower for POMDME–NG (±3 bar) than diesel–NG dual fuel combustion at 350 CAD SOI, indicating lower cyclic variations. The higher reactivity of POMDME helped reduce fluctuations in combustion phasing at the retarded SOI. The presence of cycles of deterioration and cycles of recovery were also observed with diesel–NG combustion for 310 CAD SOI, and the scatter in the IMEPg return map was similar for both fuel combinations. The IMEPg return map for POMDME–NG combustion was less scattered at the 350 CAD SOI.

Engineering↗

DOE OSTI2022

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NO x during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

42 ENGINEERING↗