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At least 109 records · Page 6

Carbon-Nanotube-Bridging Strategy for Integrating Single Fe Atoms and NiCo Nanoparticles in a Bifunctional Oxygen Electrocatalyst toward High-Efficiency and Long-Life Rechargeable Zinc–Air Batteries

The development of highly efficient and robust bifunctional electrocatalysts for oxygen reduction (ORR) and evolution reactions (OER) is the key issue for realizing high-performance and long-life rechargeable zinc–air batteries (ZABs). However, it is still a great challenge to integrate independent ORR and OER sites in a catalyst with high activity. Here, a carbon nanotube-bridging strategy is proposed to synthesize such a bifunctional oxygen electrocatalyst enriched with highly active single-atom Fe sites for the ORR and high-performance nanosized NiCo hydroxides for the OER. Consequently, the developed catalyst shows a small overpotential difference of 0.686 V. When used as an oxygen electrode catalyst, the corresponding ZAB exhibits a large power density of 219.5 mW cm ₋2 , a small charge–discharge voltage gap of 0.72 V at 10 mA cm ₋2 , and outstanding discharge–charge durability without attenuation after more than 700 cycles. This work proposes a new idea to realize multifunctional catalysts and drives the practical application of ZABs.

25 ENERGY STORAGE↗

Highly Efficient Surface Charge Transfer in Fe 2 TiO 5 Epitaxial Thin Film Photoanodes

Pseudobrookite (Fe 2 TiO 5 ) has attracted significant attention as an emerging photoanode for water oxidation due to reports of enhanced performance in polycrystalline heterostructures with α-Fe 2 O 3 or TiO 2 . However, the specific properties and contribution of Fe 2 TiO 5 remain unknown. Here, we present the first photoelectrochemical characterization of epitaxial thin film Fe 2 TiO 5 , an ideal platform for probing the inherent response of this earth-abundant photoanode for solar water splitting. Moreover, by using an electrolyte containing a hole scavenger, we find highly efficient charge transfer at the Fe 2 TiO 5 –electrolyte interface. This notable surface property is exploited in the form of an Fe 2 TiO 5 /α-Fe 2 O 3 heterostructure photoanode, for which we observe a photocurrent density increase by 1 order of magnitude and an onset potential improvement by ~300 mV. Establishing these fundamental properties elucidates the nature of reaction mechanisms on Fe 2 TiO 5 and informs the design of highly efficient water photo-oxidation devices by incorporating this material with other photoanodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ceramic High Efficiency Particulate Air (HEPA) Filter Research and Development at Lawrence Livermore National Laboratory

Ceramic high efficiency particulate air (HEPA) filter development program began at Lawrence Livermore National Laboratory (LLNL) over 20 years ago. Historical incidents motivated current safety systems at nuclear facilities. A ceramic filter that can survive a fire can provide robust, passive safety protection. Research has been conducted to improve the safety of nuclear facilities and to reduce operational and lifecycle costs, through ceramic filter technology that can survive fire conditions. Here, the research focused on applications in both new facilities as well as meeting operational requirements necessary to retrofit filters into existing DOE facilities. The research has developed multiple filter technologies spanning traditional HEPA filter materials to advanced manufacturing technologies (e.g., electrospinning, additive manufacturing, etc.). This communication will present highlights of selected development efforts for ceramic HEPA filter research, current state-of-the-art for ceramic filters, and future needs including technical, regulatory, and commercial efforts.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Hierarchical electrode design of highly efficient and stable unitized regenerative fuel cells (URFCs) for long-term energy storage

The unitized regenerative fuel cell (URFC) is a promising electrochemical device for intermittent renewable energy storage in chemical bonds. However, widespread application has been hindered due to low round-trip efficiencies (RTEs) and disappointing durability, in particular at high rates. In this study, we break through that barrier by demonstrating highly efficient, flexible, and stable URFCs via hierarchical design of the multiscale catalyst-layer structures. A more porous and less tortuous Pt and Ir catalyst layer is realized using a doctor blade fabrication method that significantly improves URFC performance. We demonstrate RTEs of 56% and 53% under constant-electrode and constant-gas mode, respectively, while operating at 1000 mA cm –2 , and significantly, a RTE of 45% at 2000 mA cm –2 , achievements that were previously viewed as unfeasible under the onerous demands of URFC operation. At the same time we demonstrate URFCs under both constant-electrode and constant-gas mode operated continuously for over 500 h with negligible degradation. These results demonstrate the viability of applying URFCs for long-term energy storage at previously unattainable efficiencies and cast new light on electrode design and optimization of URFCs.

25 ENERGY STORAGE↗

Additive-Mixing Fuel Injection (AMFI): A device for robust control and improved performance of high-efficiency LTGC engines

Low-temperature gasoline combustion (LTGC) engines can provide high efficiencies with very low NOx and particulate emissions. Despite these major advantages, methods for controlling LTGC combustion timing, achieving robust autoignition, and good low-load performance have challenged the development of practical LTGC engines. A key reason is that the ideal reactivity of the fuel varies with operating conditions, with low-reactivity fuels working well at high loads and higher-reactivity fuels working better at low loads. This article introduces a new technique called Additive Mixing Fuel Injection (AMFI) that adjusts the reactivity of the gasoline to obtain good performance over the operating map. Moreover, AMFI can provide robust combustion-timing control because it precisely meters very small amounts (0.01–0.6 mm 3 ) of an ignition-enhancing additive into the fuel each engine cycle. The additive used was 2-ethylhexyl nitrate (EHN), a common, inexpensive diesel-fuel ignition improver, but other additives could be used. Because additive amounts are so small, a 2-gal reservoir would be sufficient for medium-duty applications with refilling only at service intervals of about 8000 mi. The AMFI system has been installed on a single-cylinder LTGC research engine and demonstrated to provide robust combustion-timing control over wide ranges of combustion phasing, fueling rate, intake boost, engine speed, and intake temperature. AMFI also increases the fuel’s reactivity sufficiently to greatly reduce or eliminate the need for charge heating, simplifying engine design and significantly increasing thermal efficiency and the maximum load at low-boost conditions. The nitrogen in the EHN produced a modest increase in NOx, but it was mitigated by lower intake temperatures, and NOx emissions remained very low. Finally, the additive increases the sensitivity of autoignition reactions to variations in the local fuel/air mixture within the charge. This allows the use of controlled fuel stratification for improved LTGC-engine performance, and its potential to improve low-load operation was demonstrated.

Dec, John E.↗

Magnetron R&D for high efficiency CW RF sources for industrial accelerators

The scheme of using high-efficiency magnetrons to drive radiofrequency accelerators has been demonstrated at 2450 MHz in CW mode *. Magnetron test stands at JLab and GA have been set up to further test the noise figure and the locking speed of the injection phase-lock method. For higher power applications, power combining experiments using a TM010 cavity-type combiner and a magic tee for the binary combiner while using a single clean injection signal has been carried out at 2450 MHz. The frequency pulling effect between the magnetron and a low-Q cavity has been shown to enhance the frequency locking bandwidth compared to the injection phase-lock alone. The principle has been studied by the equivalent circuit simulation, analytical model, and finally confirmed experimentally on the magnetrons. Due to the pandemic delay in 2020, the equivalent high power tests using a 75kW, 915MHz industrial magnetron will be done in 2021 and will be reported in a future paper.

Wang, H.↗

Magnetron R&D Progress for High Efficiency CW RF Sources of Industrial Accelerators

After the demonstration of using high efficiency magnetron power to combine and aim to drive a radio frequency accelerator at 2450MHz in CW mode [1], we have used trim coils adding to a water-cooled magnetron and three amplitude modulation methods in an open-loop control to further suppress the 120Hz side-band noise to -46.7dBc level. We have also successfully demonstrated the phase-locking to an industrial grade cooking magnetron transmitter at 915MHz with a 75kW CW power delivered to a water load by using a -26.6dBc injection signal. The sideband noise at 360Hz from the 3-Phase SCRs DC power supply can be reduced to -16.2dBc level. Their power combing scheme and higher power application to industrial accelerators are foreseeing.

Wang, H.↗

Light-Induced Metastabilities in Highly Efficient MZO/CdSeTe/CdTe Thin Film Solar Cells

Metastability effects have been investigated in high efficiency MZO/CdSeTe/CdTe solar cells. Two different preconditioning procedures have been studied to recover the performance of the devices. These preconditioning procedures include light soaking, annealing and cooling down the device under different atmospheric conditions. J-V curves before any preconditioning showed a `S` shaped behavior and disappears after 15 minutes of light soaking under 1000 Wm-2. Both Atmospheric and Vacuum preconditioning showed similar recovery of the device performance. However, this recovery only lasts for 3 days when the devices were kept under vacuum in the dark.

14 SOLAR ENERGY↗

Surface Roughness Effects from Additive Manufacturing in High Efficiency Gas Turbine Combustion Systems

In the past, clean combustion systems were characterized by high system development costs due to growing complexity and escalating manufacturing costs from conventional manufacturing processes. As a result, high efficiency concepts are difficult to design and more difficult to be cost-effectively manufactured. In recent years, with the introduction of additive manufacturing (AM) technologies, the rapid prototyping and mass production processes of clean combustion systems are promising to be significantly simplified with significant reduction in terms of engine manufacturing cost and engine energy cost. Compared with conventional manufacturing built parts, the AM process enabled a simpler design to be adopted for the nozzle, reducing the number of required braze and weld joints from twenty-five to just five. The resulting nozzle was 25% lighter and five times more durable and contributed to a 15% reduction in fuel burn in comparison with the previous model produced. Applying these improvements to a fleet of 5,000 turbofan engines at 150 kN thrust would result in fuel cost savings of $ \$ $6B annually (at $ \$ $5/gallon Jet-A fuel price, 700 gallon/hour fuel consumption rate, and 2,300 operational hours per year), and reduce CO2 emissions by more than 25 million tons per year. These advances support core Department of Energy (DOE) missions in energy efficiency, improving productivity, and environmental sustainability. Maximizing the benefit of these new capabilities will require high prediction capability of high speed turbulent flow with wall modeled Large Eddy Simulation (LES). GE Aviation maintains that advanced simulation technology and supercomputing is required in order to provide the appropriate boundary conditions to realize the maximum potential of AM and Ceramic Matrix Composite to reduce cooling flow, a first order penalty on the Brayton cycle. The algorithm developed using the ANSYS/Fluent software would provide the foundation for entirely new avenues of research and development with potential multi-billion dollar impact to the US economy, and significant reduction in carbon based emissions across the aerospace and power generation industries. The formulation of this iWLES (integral wall model for LES) is generic and allows to capture the changes in flow dynamics that have a significant impact on the wall bounded flow characteristics, such as swirler effective area, bulk swirl number, local pressure distribution, exit velocity profile, and turbulence kinetic energy profile. A periodic channel flow with rough flat plate is simulated using LES (Wall-Adapting Local Eddy-viscosity) model to verify the implementation of iWLES in the Fluent User Defined Function (UDF). As the flow fields are highly sensitive due to surface roughness of the wall bounded flows in the combustion systems, there is significant potential to conduct further LES studies focusing on the turbulence boundary layer interaction. Accurately capturing near wall physics will elucidate the impact of rough surfaces on combustor flow and aero-thermal interactions.

42 ENGINEERING↗

Integration of a high oxygen permeability ionomer into polymer electrolyte membrane fuel cell cathodes for high efficiency and power density

In this work, we present a study on the integration of a high oxygen permeability ionomer (HOPI) with high durability carbon supported platinum (Pt/C) catalysts to prepare cathode catalyst layers (CCLs) for polymer electrolyte membrane fuel cells (PEMFCs). A key motivation is the production of PEMFCs with high efficiency and durability for heavy-duty fuel cell vehicles. Our results from integrating a pre-commercial HOPI with robust, state-of-the-art catalysts with medium and low surface area carbon supports show significant increases in specific activities (67% increase over the standard commercial ionomer) at low current densities and reduced oxygen (O 2 ) transport resistances (R O2 ’s) at high current densities, enabling both higher efficiency and peak power density. The reduction in the R O2 with the HOPI is most significant at low relative humidity (RH), due to its more rigid backbone structure resisting compaction at lower water contents. In our ink optimization analysis, we show that the HOPI in this study achieves its peak performance with an ionomer to carbon ratio (I/C) of 0.6 and a moderately alcohol-rich ink solvent when fabricating catalyst layers by the decal method with an automatic wet film coater.

08 HYDROGEN↗

Next Generation High Efficiency Boosted Engine Concept

This report summarizes a collaborative research project between Ford Motor Company, FEV North America, and Oak Ridge National Laboratory to develop a next-generation, high-efficiency, boosted spark-ignited engine. The goal was to achieve a 23% improvement in fuel economy and a 15% reduction in engine weight compared to a 2016 Ford F150. The team utilized advanced technologies including a high compression ratio, cooled exhaust gas recirculation (EGR), early intake valve closing, and a novel active pre-chamber ignition system. The final engine prototype met the fuel economy goal and demonstrated a 4.3% weight reduction, with further opportunities identified to reach the full 15% target.

Fuel economy↗

Pilot Testing of a Highly Efficient Pre-combustion Sorbent-based Carbon Capture System

TDA developed and demonstrated a highly efficient pre-combustion carbon capture system. The overall objective of this work was to develop a new sorbent-based pre-combustion carbon capture technology for Integrated Gasification Combined Cycle (IGCC) power plants. In this project our goal was to demonstrate the techno-economic viability of the new technology by 1) demonstrating it in large-scale slipstream tests, and 2) carrying out a high fidelity engineering and cost analysis. TDA’s process used an advanced physical adsorbent that selectively removes CO 2 from coal-derived synthesis gas above the dew point of the gas at temperatures as high as 300°C. The sorbent consists of a mesoporous carbon whose surface was grafted with functional groups that remove CO 2 via a well-known acid-base interaction. As documented in bench-scale experiments and field tests with actual coal gas, the sorbent achieved a very high capacity for CO 2 at temperatures as high as 300°C. The sorbent bound CO 2 more strongly than common physical adsorbents, providing the chemical potential needed for the high temperature operation. However, because CO 2 does not form a true covalent bond with the surface sites (as is the case with chemical absorbents), the sorbent regeneration could be carried out with only a very small energy input. The heat input to regenerate our sorbent was only 4.9 kcal per mol of CO 2 , which is much lower than that for chemical absorbents (e.g., 29.9 kcal/mol CO 2 for sodium carbonate) and was similar to the requirements of physical solvents (e.g., 4 kcal/mol CO 2 for Selexol TM ). Because the sorbent operates above the dew point of the synthesis gas (unlike the Selexol TM process), a higher power cycle efficiency can be achieved. With previous DOE/NETL funding (Contract No. DE-FE-0000469), we demonstrated the techno-economic viability of the technology in bench-scale tests and slipstream demonstrations at the National Carbon Capture Center (NCCC), Wilsonville, Alabama and Wabash River IGCC plant in Terra Haute, Indiana. We demonstrated a stable working CO 2 capacity for over 11,650 cycles with simulated synthesis gas. We also evaluated its performance with actual synthesis gas in two test campaigns at the Wabash River IGCC Plant, Terre Haute, IN and the National Carbon Capture Center (NCCC), Wilsonville, AL. The slipstream tests clearly showed that the actual coal gas constituents and potential contaminants (e.g. trace metals, halides, tars) had no effect on the sorbent’s ability to remove CO 2 (the same sorbent beds were used in both field tests with no sign of deactivation for 2,000 cycles with over 26,750 SCF of gas treated). As expected, due to the high temperature CO 2 removal capability and low energy needed to regenerate the sorbent, the power cycle efficiency with our process was greater than 34% on a higher heating value (HHV) basis; in comparison, the same IGCC plant equipped with the Selexol TM solvent for carbon capture can only achieve 31.4% HHV efficiency. The capital cost for an IGCC system with TDA’s process is estimated as $2,417/kW e , which is 12% lower than that of the IGCC/ Selexol TM process. The levelized cost for electricity including the transport, storage and monitoring (TS&M) cost for CO 2 was calculated as $\$ $92.9/MWh (lowest reported to our knowledge), which is much better than the $105.2/MWh estimated for the IGCC/ Selexol TM process. In this project (DE-FE0013105), TDA Research, in collaboration with our partners Gas Technology Institute (GTI), Illinois Clean Coal Institute (ICCI), University of California, Irvine (UCI), University of Alberta (UOA), Siemens, NCCC and Sinopec advanced the technical maturity of the technology; scaling it up by a factor of 100. We optimized the reactor design using computational fluid dynamics (CFD); using adsorption modeling we improved the pressure swing adsorption (PSA) cycle sequence. We carried out two field test campaigns with a fully-equipped 0.1 MW e prototype unit (for a total of 844 hours) using actual synthesis gas to prove the viability of the new technology. A successful 30 day (707 hrs) evaluation was completed at NCCC under air blown gasification conditions. We demonstrated 97.3% carbon capture at 1,500 SLPM, 93% carbon capture at 1,800 SLPM, and 90% carbon capture at 2,100 SLPM in the NCCC tests. We also demonstrated the system for 137 hours at a Sinopec petrochemical plant under oxygen blown gasification, demonstrating 86% carbon capture at 2,660 SLPM. In collaboration with University of California, Irvine (UCI), we completed a techno-economic analysis (TEA) for TDA’s warm gas cleanup technology integrated to IGCC power plant. The net plant efficiencies (on a coal HHV basis) for the warm gas cleanup cases were estimated to be 34.0% for E-GasTM gasifier, 34.4% for GE gasifier, 33.4 for the Shell gasifier and 34.2 for the TRIG TM gasifier (Cases 2, 4, 6 and 8 in this study) with a catalytic combustor for CO 2 purification, which are significantly higher than those for the Cold Gas Case, or an increase of as much as 12% in the heat rate for Case 2, 6% for Case 4, 9% for Case 6, and 9% for Case 8. The 1st year cost of electricity with the transport, storage and monitoring (TS&M) costs for the CO 2 included was $\$ $129.2/MWh for the E-GasTM gasifier Warm Gas Cleanup Case, $\$ $131.9/MWh for the GE gasifier Warm Gas Cleanup Case, $\$ $146.8/MWh for the Shell Gasifier Warm Gas Cleanup Case, and $\$ $129.9/MWh for the TRIG TM gasifier Warm Gas Cleanup Case. For comparison, the costs for the baseline Cold Gas CO 2 removal with Selexol for the different gasifiers were: $\$ $146.6/MWh for the E-Gas TM gasifier, $\$ $142.2/MWh for the GE gasifier, $\$ $159.0/MWh for the Shell gasifier and $\$ $144.3/MWh for the TRIG TM gasifier. In summary, the costs for our system were 7 to 12% lower than the corresponding Cold Gas Cleanup cases. The results of this techno-economic analysis suggested that TDA’s high temperature PSA-based Warm Gas Clean-up Technology can make a substantial improvement in the IGCC plant thermal performance for achieving near zero CO 2 emissions for E-Gas TM , GE, Shell and TRIG TM gasifier based IGCC power plants. The capital expenses were estimated to be lower than that of Selexol’s™. Taken together, the higher net plant efficiency and lower capital and operating costs resulted in substantial reduction in the cost of carbon capture for the IGCC plant equipped with TDA’s high temperature PSA-based carbon capture system. Finally, in collaboration with Gas Technology Institute (GTI) we completed the environmental health and safety assessment for TDA’s warm gas carbon capture technology.

01 COAL, LIGNITE, AND PEAT↗

High‐Efficiency Organic Solar Cells with Wide Toleration of Active Layer Thickness

Industrial printing production of organic solar cells (OSCs) requires high power conversion efficiency (PCE) with wide toleration of active layer thickness. Herein, high‐efficiency thick‐film OSCs are demonstrated using a polymer fibril network strategy (FNS), which involves a donor polymer (PT2) that can self‐assemble into fibril nanostructure, and two nonfullerene acceptors with different crystalline properties. The fibril network can form a high‐speed hole transport channel and the addition of IDIC as a third component in active layers can improve the electron transport. As a result, the OSCs show high PCEs of ≈12% with wide toleration of active layer thickness (from 100 to 500 nm). The results indicate that FNS is a promising approach for the fabrication of highly efficient thick‐film PSCs, which can facilitate the commercialization of OSCs.

Weng, Kangkang↗

Optimization of Triply Periodic Minimal Surface Heat Exchanger to Achieve Compactness, High Efficiency, and Low-Pressure Drop

With advancements in additive manufacturing (AM) techniques, high-quality triply periodic minimal surface (TPMS) structures can now be produced. TPMS walled heat exchangers (HX) hold significant potential for industrial applications and are receiving increasing attention. This paper explores the impact of various TPMS design variables on flow and thermal performance to optimize TPMS heat exchangers for compactness, high efficiency, and low pressure drop. The design variables examined include the type of TPMS lattice, unit cell size, wall thickness, aspect ratio, TPMS orientation, and equivalent thickness. The study reveals that the flow and heat transfer performance of TPMS structures are significantly affected by these design variables. For the Gyroid, Diamond, and SplitP lattices, performance is nearly identical when the surface-to-volume ratio is kept constant. The average velocity of the fluid in the TPMS HX should be 0.3 m/s. The corresponding Re is between 300~800. Thin wall thickness, small equivalent thickness, and flat lattice configurations can significantly reduce pressure drop while maintaining the overall heat transfer coefficient. Additionally, the angle between the flow direction and TPMS orientation can increase pressure drop. Three aluminum heat exchangers were successfully printed using an AM machine, and testing results are comparable with theoretical prediction.

42 ENGINEERING↗

A high efficiency rooftop air conditioning system using multi-speed compressors

This study delineates a meticulous exploration of technologies to enhance the energy efficiency of rooftop air conditioning units, employing the DOE/ORNL heat pump design model for comprehensive engineering design and optimization. A baseline rooftop air conditioning unit, featuring a 13 ton (45.7 kW) cooling capacity and a 17.9 integrated energy efficiency ratio, served as the point of departure for substantive efficiency enhancements. Key modifications included the consolidation of two refrigerant circuits into one, integrating three parallel 2-stage (dual-speed) compressors, fan replacements with high-efficiency substitutes. Notably, a lower global warming potential refrigerant, R452B, was evaluated as a substitute for R-410A, demonstrating better performance in the lab prototype. Further, the achieved measured integrated energy efficiency ratio of 21.4 in the lab prototype surpassed the baseline integrated energy efficiency ratio. Comparative evaluations between R410A and R452B indicated heightened efficiency with the latter, showcasing a lab-demonstrated integrated energy efficiency ratio of 22.4 at the rated capacity of 13.8 ton (48.5 kW) and 23.9 integrated energy efficiency ratio at the rated capacity of 10 ton (35.2 kW). This research underscores the successful development of a rigorous, energy efficient rooftop air conditioning unit prototype with noteworthy environmental and economic implications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Integrated Micro‐Scale Concentrating Photovoltaics: A Scalable Path Toward High‐Efficiency, Low‐Cost Solar Power

The global energy market is seeing increases in the electricity demand of a couple of percentage points annually. The photovoltaic (PV) industry is also growing rapidly every year. One of the PV technologies is concentrator photovoltaics (CPV). CPV uses high‐efficiency multijunction solar cells and optics to concentrate sunlight, thereby significantly reducing the amount of semiconductor material needed. Yet, due to the high upfont manufacturing cost of CPV, it currently does not offer a competitive price against silicon PV. With this a new branch is introduced to the industry, micro‐CPV, which can be broadly explained as the miniaturization of the solar cells and optical components. The motivation for micro‐CPV is lowering the cost by decreasing the material volume and enabling new system architectures and high‐throughput manufacturing methods, while still maintaining high electrical efficiencies, taking advantage of a lower thermal load, shorter optical paths, lower resistive losses, and lower material volumes. Herein, a comprehensive review of the technological advances is presented, key synergies between micro‐CPV and other industries sharing similar challenges are identified, exemplified by micro‐light emitting diodes display manufacturing. New assembly process development in these industries will facilitate commercial adoption of micro‐CPV with continued miniaturization while driving down the cost.

Jost, Norman↗

MODELING AND PARAMETRIC STUDY OF END-GAS AUTOIGNITION TO ALLOW THE REALIZATION OF ULTRA-LOW EMISSIONS, HIGH-EFFICIENCY HEAVY-DUTY SPARK-IGNITED NATURAL GAS ENGINES

Engine knock and misfire are barriers to pathways leading to high-efficiency Spark-Ignited (SI) Natural Gas (NG) engines. The general tendency to knock is highly dependent on engine operating conditions and the fuel reactivity. The problem is further complicated by the low emission limits and the wide range of chemical reactivity in pipeline-quality natural gas. Depending on the region and the source of the natural gas, its reactivity, described by its Methane Number (MN), which is analogous to the Octane Number for liquid SI fuels, can span from 65 to 95. In order to realize diesel-like efficiencies, SI NG engines must be designed to operate at high Brake Mean Effective Pressures (BMEP), near or beyond knock limits, over a wide range of fuel reactivity. This requires a deep understanding of the combustion-engine interactions pertaining to flame propagation and End-Gas Autoignition (EGAI), i.e., the autoignition of the unburned gas (end gas) ahead of the flame front. However, EGAI, if controlled, provides an opportunity to increase SI NG engine efficiency by increasing the combustion rate and the total fraction of burned fuel, mitigating the effects of the slow flame speeds characteristic of natural gas fuels, which generally reduce BMEP and increase unburned hydrocarbon emissions. For this reason, to realize diesel-like efficiencies and ultra-low emissions on SI NG engines, this work proposes the study of the main parameters influencing the modeling and prediction of NG EGAI to allow for its control. In this work, a novel EGAI detection and onset determination method was developed to reliably quantify EGAI for data analysis and engine control. The new method allowed the prediction of EGAI on SI NG engines without the need to use engine- and operating-condition-dependent thresholds and reduced the error in quantifying the fraction of the total energy released by the EGAI event by up to 40%pts. One- and three-dimensional engine models were then developed to study the engine/fuel interactions that lead to NG EGAI and its performance benefits. These models, although having decent agreement with experimental data, showed the need to account for NOx chemistry when predicting NG EGAI due to a consistently later prediction of the EGAI onset (~1.65 crank-angle degrees) and thus, a new reduced chemical mechanism for real NG fuels was developed containing NOx chemistry. The new reduced mechanism improved the EGAI onset prediction agreement to within ±0.5 crank-angle degrees and decreased simulation time during combustion by nearly 50% when using the further reduced AREIS50NOx chemical mechanism. These models were then used to study the role of NG composition on EGAI, evaluate the engine/fuel interactions leading to NG EGAI, and perform engine optimization while leveraging EGAI to increase thermal efficiency. Piston design optimization combined with a Controlled EGAI (C-EGAI) combustion mode allowed a Heavy-Duty (HD) SI NG engine to operate at diesel-like efficiencies, i.e., Brake Thermal Efficiency (BTE) ≥44%. Experimental and modeling data analysis revealed that earlier and faster heat release increases combustion efficiency by an average of 1%pts, increases work transferred to the piston resulting in a decrease in exhaust losses by 50% depending on the engine operating condition while slightly increasing heat losses. Finally, the simulation results revealed an opportunity to further enhance the BTE (up to 50%) by enabling C-EGAI combustion at leaner conditions, λ=1.4-1.6.

Bestel, Diego Bernardi↗