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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Chemical insights into ethyl acetate flames from experiment and kinetic modeling: Laminar burning velocity, speciation and NO$_x$ emission

Oxygenated fuels, such as alcohols, ethers, and esters, are promising alternatives to conventional fuels. These fuels can help reduce detrimental emissions like carbon monoxide and unburned hydrocarbons and enhance octane ratings. Among these oxygenates, ethyl acetate (EA), a small alkyl ester sourced from biomass, emerges as a clean, promising energy carrier. It serves as a surrogate fuel to facilitate investigations into the combustion behaviours of biodiesel. Despite its importance, the literature knowledge of EA combustion characteristics is limited. Therefore, this study aims to broaden the knowledge of the combustion behaviour of this type of oxygenated fuel compound. In this study, we measured the laminar burning velocities of EA by employing a heat flux burner and a closed combustion vessel over the equivalence ratios of 0.7 – 1.7, pressures of 1 – 10 bar and temperatures ranging from 353 – 423 K. Further, we also measured the NOx emissions in exhaust gas of the premixed flames fueled by EA/air for the first time over the equivalence ratio of 0.8 – 1.2. Additionally, we employed a non-premixed counterflow flame setup for extensive characterisation of species and their concentration under diverse conditions encompassing various strain rates and oxygen concentrations. Finally, we utilized these newly measured data to construct and validate a detailed kinetic model developed as part of this work. The newly developed model will help characterize the combustion properties of EA.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Development of Passive HC/NOx Trap Catalysts for Low Temperature Gasoline Applications

This project aimed to develop fundamental understanding of the chemistry of NO adsorption and reaction in Pd/zeolites so as to facilitate the rational design of passive NOx adsorber catalysts. The approach adopted combined both experimental and computational methods, which together allow a deeper understanding of the governing chemistry than the use of either method alone. The workflow began with Pd/H-CHA and Pd/H-BEA catalyst synthesis and characterization, in which the Si/Al ratio and Al siting were systematically varied. This was followed by catalyst evaluation using temperature-programed adsorption/desorption methods, as well as in situ spectroscopic measurements to probe the chemistry of NO adsorption. In parallel, the adsorption of NO and other relevant species (H 2 O, CO, HCs) was studied by means of quantum chemical calculations in order to rationalize the experimental data and provide additional insights. Catalyst aging studies were also performed with the aim of elucidating the mechanism of catalyst degradation. Finally, the insights gained in this project were applied to the preparation of an optimized HC/NOx adsorber catalyst, the performance of which was studied using exhaust gas from an engine dynamometer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Emissions Characterization for Ammonia Fuel Blends in an Enclosed Swirl-Stabilized Diffusion Burner

This study investigates ammonia flames using the enclosed Sydney swirl burner (ESSB), focusing on detailed global emissions measurements. Emissions were measured via Fourier-transform-infrared (FTIR) spectrometer, utilizing a heated, long-path absorption cell. Hot, wet measurements of pertinent species were collected, and concentrations were determined via lineshape fitting in conjunction with the HITRAN database. Results show that partially cracked ammonia compositions yield lower emissions compared to pure NH3/H2, and small amounts of NH3 addition to CH4-containing fuel blends exhibit high levels of NOx and CO, with measurable HCN and unburnt CH4. Equilibrium calculations suggest trade-offs between chemical timescale, heat loss, and mixing. Future work will explore emissions sampling procedures and expand analysis using chemical reactor network modelling.

ammonia combustion↗
DOE OSTI2021

Fuel Property Effects of a Broad Range of Potential Biofuels on Mixing Control Compression Ignition Engine Performance and Emissions

Conventional diesel engines will continue to hold a vital role in the heavy- and medium-duty markets for the transportation of goods along with many other uses. The ability to offset traditional diesel fuels with low-net-carbon biofuels could have a significant impact on reducing the carbon footprint of these vehicles. A prior study screened several hundred candidate biofuel blendstocks based on required diesel blendstock properties and identified 12 as the most promising. Eight representative biofuel blendstocks were blended at a 30% volumetric concentration with EPA certification ultra-low-sulfur diesel (ULSD) and were investigated for emissions and fuel efficiency performance. This study used a single cylinder engine (based on the Ford 6.7L engine) using Conventional Diesel Combustion (CDC), also known as Mixing Control Compression Ignition (MCCI). The density, cetane number, distillation curve and sooting tendency (using the yield sooting index method) of the fuels were measured. Start of injection (SOI) timing and exhaust gas recirculation (EGR) sweeps were conducted at three separate speed-load operating points to examine fuel effects on the NOX/soot and NOX/efficiency trade-offs as well as to evaluate EGR tolerance. The results show that the biofuel blends all reduced NOX and soot emissions without penalty to engine efficiency, even improving efficiency for some of the blends at certain points, with one particular blend of polyoxymethylene ethers (POMEs) improving efficiency at all points while drastically reducing soot by 79%.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Single-atom automobile exhaust catalysts

Single-atom catalysts (SACs) with isolated metal centers are attracting great research interest because of their maximized metal utilization rates and unique structures. In the last decade, significant efforts have been made to design highly efficient and costeffective SACs with applications in automobile exhaust aftertreatment. SACs have not only demonstrated their high potential for improving the catalytic performance of current automobile exhaust catalysts but also provided an ideal platform for understanding the origins of catalyst reactivity. In this review, we summarize the general strategies for promoting the reactivity of metal SACs while maintaining their thermal stability during exhaust-abatement-related reactions. Highlights are provided on well-performed SACs for CO oxidation, unburnt hydrocarbon (HC) oxidation, and the selective catalytic reduction of NOx. The reaction mechanism and structure– performance relationship of SAC during these reactions are also discussed. Finally, perspectives are given on the trending research fields for designing more efficient single-atom automobile exhaust catalysts in the future.

Lu, Yubing↗
DOE OSTI2020

Well-to-wheels greenhouse gas and air pollutant emissions from battery electric vehicles in China

Electric vehicles (EVs) play a crucial role in addressing climate change and urban air quality concerns. China has emerged as the global largest EV market with 1.2 million EVs sold in 2018. This study established a novel life cycle energy use and emission inventory collecting up-to-date data including the electricity generation mix, emission controls in the power and industrial sectors, and the energy use in the fuel transport to estimate the well-to-wheels (WTW) greenhouse gas (GHG), and air pollutant emissions for battery electric vehicles (BEVs) and gasoline passenger vehicles in China. The results show that an average BEV has 35% lower WTW GHG emissions than an average gasoline car. BEVs reduce volatile organic compounds (VOCs) and nitrogen oxides (NOX) emissions by 98% and 34%, respectively, but have comparable or slightly higher primary fine particulate matter (PM2.5) and sulfur dioxide (SO2) emissions. Compact and small-size vehicles generally have lower GHG and air pollutant emissions than mid- and large-size vehicles. Class A vehicles contribute the most in the absolute amount of GHG and air pollutant emissions and therefore have the biggest potential for emission reduction. Our results suggest that global policymakers should continue to promote the transition to clean power sources, emission control, and fuel economy regulations, which are critical to enhancing emission mitigation benefits of BEVs. We also suggest EV development strategies should be formulated targeting vehicle class with the biggest emission mitigation potentials.

Air pollutant emissions↗
DOE OSTI2021

Measurement and Modeling of the effects of exhaust composition and hydrothermal aging on the ammonia storage capacity of a commercial Cu-SSZ-13 catalyst

Copper exchanged chabazites are among the state-of-the-art catalyst materials being studied for selective catalytic reduction of NOx, however, there is still a need to understand how these materials store ammonia after aging. In this work, studies are performed to assess the ammonia storage capacity of Cu-SSZ-13 as a function of concentration, temperature, and extent of hydrothermal aging. Ammonia binds at three difference sites: (i) a Cu site bound at 1 framework Al (Z 1 Cu site), (ii) a Cu site bound at 2 framework Al (Z 2 Cu site), and (iii) a Brønsted acid site (ZH site). Results show that a 3-site model can accurately capture ammonia storage across all conditions. Impacts for hydrothermal aging are considered via 3 aging reactions that change the site densities of each identified adsorption site. Model assessment shows that during aging there is a significant loss in Brønsted acid sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

An experimental and kinetic modeling study of NO x sensitization on methane autoignition and oxidation

An experimental and kinetic modeling study of the influence of NO x (i.e. NO 2 , NO and N 2 O) addition on the ignition behavior of methane/‘air’ mixtures is performed. Ignition delay time measurements are taken in a rapid compression machine (RCM) and in a shock tube (ST) at temperatures and pressures ranging from 900–1500 K and 1.5–3.0 MPa, respectively for equivalence ratios of 0.5–2.0 in ‘air’. The conditions chosen are relevant to spark ignition and homogeneous charge compression ignition engine operating conditions where exhaust gas recirculation can potentially add NO x to the premixed charge. The RCM measurements show that the addition of 200 ppm NO 2 to the stoichiometric CH 4 /oxidizer mixture results in a factor of three increase in reactivity compared to the baseline case without NOx for temperatures in the range 600–1000 K. However, adding up to 1000 ppm N 2 O does not show any appreciable effect on the measurements. The promoting effect of NO 2 was found to increase with temperature in the range 950–1150 K, while the sensitization effect decreases at higher pressures. The experimental results measured are simulated using NUIGMech1.2 comprising an updated NO x sub-chemistry in this work. A kinetic analysis indicates that the competition between the reactions ĊH 3 + NO 2 ↔ CH 3 Ȯ + NO and ĊH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M), the former being a propagation reaction and the latter being a termination reaction governs NO x sensitization on CH 4 ignition. Recent calculations by Matsugi and Shiina (A. Matsugi, H. Shiina, J. Phys. Chem. A. 121 (2017) 4218–4224) for the nitromethane formation reaction CH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M), together with the recently calculated rate constants for HONO/HNO 2 reactions significantly improve ignition delay time predictions in the temperature range 600–1000 K. Furthermore, the experiments with NO addition reveal a non-monotonous sensitization impact on CH 4 ignition at lower temperatures with NO initially acting as an inhibitor at low NO concentrations and then as a promoter as NO concentrations increase in the mixture. This non-monotonous trend is attributed to the role of the chain-termination reaction ĊH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M) and the impact of NO on the transition to the chain-branching steps CH 2 O + HȮ 2 ↔ HĊO + H 2 O 2 , H 2 O 2 (+M) ↔ ȮH + ȮH (+M), HĊO ↔ CO + Ḣ followed by CO + O 2 ↔ CO 2 + Ö and Ḣ + O 2 ↔ Ö + ȮH. NUIGMech1.2 is systematically validated against the new ignition delay measurements taken here together with species measurements and high temperature ignition delay time data available in the literature for CH 4 /oxidizer mixtures diluted with NO 2 /N 2 O/NO and is observed to accurately capture the sensitization trends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Unraveling the role of EGR olefins at advanced combustion conditions in the presence of nitric oxide: Ethylene, propene and isobutene

We report the role of EGR (exhaust gas recirculation) olefinic constituents at advanced combustion conditions in the presence of nitric oxide is unraveled in this study through experimental and modeling efforts using a twin-piston rapid compression machine operating at a stochiometric fuel loading with 20% EGR by mass, pressures of 20 and 40 bar, and temperatures from 680 to 950 K. Five different levels of olefin addition, focusing on ethylene, propene and isobutene, with a fixed amount of NO at 70 ppm are doped into test mixtures of PACE-20, a multi-component gasoline surrogate, where olefin addition effects are characterized through changes in ignition times and heat release rates. Experiments indicate that all three EGR olefins inhibit autoignition reactivity and low-temperature heat release at Tc < 850 K, with isobutene exhibiting the greatest impact, while at Tc > 850 K, low ethylene and propene additions promote reactivity. A recently updated chemical kinetic model, with detailed gasoline/NO x interacting and olefin/NO x interacting chemistry incorporated, is adopted to simulate the experiments. Simulation results are somewhat inconsistent with the experiments, where the model captures the inhibiting effects of all olefins on first-stage ignition reactivity, while consistently predicting a promoting effect on main ignition reactivity. Sensitivity and rate of production analyses reveal that adding olefins greatly alters the role of the consuming pathways for the olefins and their primary derivatives at the initial stage of the oxidation process, particularly with the presence of NO, where the olefins and their derivatives interact with both NO x species such as NO 2 and other species such as OH and HO 2 . The olefin/NO x interactions are particularly pronounced with propene and isobutene addition, where these lead to increased ignition reactivity by facilitating NO production and are mostly responsible for the disagreement between the model and experiments. Further investigations of olefin interacting chemistry, particularly those with NOx species, are needed for chemistry models to accurately predict the complicated effects of EGR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Experimental and modeling study of the autoignition behavior of a saturated heterocycle: Pyrrolidine

Experiments are conducted in both rapid compression machine (RCM) and shock tube (ST) to better quantify autoignition behavior (e.g., ignition delay, heat release) and understand heteroatomic effects in heterocyclic compounds, which are important reference components for the combustion of biomass-derived liquid fuels. These tests focus on the nitrogen-containing, five-membered saturated ring, pyrrolidine, at diluted conditions covering pressures of 20 and 50 bar, temperatures of 720–1450 K and a range of stoichiometries (ϕ = 0.5–2). A chemical kinetic model is developed and coupled to an existing combustion kinetics framework describing key nitrogen containing intermediates (e.g. pyrrole, ammonia and NOx). H-abstraction reactions by OH, H, CH 3 and HO 2 , are determined using ab-initio transition state theory methods, while analogies to cyclopentane are adopted for many other reactions, such as ring-opening. Here, the autoignition measurements reveal the lack of negative temperature coefficient (NTC) behavior and low-temperature chemistry for pyrrolidine, as opposed to its saturated hydrocarbon analogue, cyclopentane. Interestingly, at the lowest temperatures (T < 750 K), the reactivity of cyclopentane is greater than pyrrolidine, while at higher temperatures, pyrrolidine becomes more reactive. Agreement between the experimental measurements and the model is good, and it is found that H-abstraction reactions by HO 2 and ensuing chemistry play key roles in controlling the reactivity of this cyclic amine. Most of the fluxes, i.e., >70 %, are predicted to move through 1- or 2-pyrroline (C 4 H 7 N) and then the cyclic C 4 H 6 N radical, at both lower and higher temperatures, to form either CH 2 CHCHCHNH via ring-opening or pyrrole via β-scission. It appears that the ring opens more easily at lower temperature whereas the C–H β-scission dominates at higher temperature and lower pressure, such that the reaction of the fuel radical intermediate carrying an unpaired electron on the nitrogen atom with HO 2 is the next most notable in promoting oxidation. When comparing pyrrolidine and cyclopentane, which exhibits distinct pathways in different temperature regimes, the pyrrolidine pathways and sensitivity analysis align more closely to the high temperature case of cyclopentane where the important role of HO 2 radicals is seen to provide chain branching through HO 2 reaction with the fuel, accompanied by H 2 O 2 formation and decomposition to OH. The formation of 5-membered diene rings and ring opening reactions are also found to be highly relevant. Of particular note, it is found that there is little influence of small molecule nitrogen-chemistry, e.g., NH 2 , HCN, NO/NO 2 on the reactivity of the pyrrolidine mixtures investigated here where no recirculated combustion gases are included.

Autoignition↗
DOE OSTI2022

Reinforcement learning for online adaptation of model predictive controllers: Application to a selective catalytic reduction unit

Here we present a novel application of reinforcement learning (RL) for online dynamic tuning of model predictive controllers (MPC). Applying a state-action-reward-state-action (SARSA) algorithm for temporal difference learning with a control-specific reward function improves the error tracking performance of a standard MPC formulation. The proposed RL approach is also readily adaptable to other MPCs, or entirely different control approaches. Practical details for the implementation of the RL-MPC algorithm are also presented. The proposed algorithm is applied to a case study of controlling nitrogen oxide (NO x ) emissions in an industrial selective catalytic reduction (SCR) unit, a control problem characterized by significant nonlinearity and time delay. Along with an RL-MPC formulation for NOx control, another MPC is proposed to mitigate ammonia slip and decrease ammonia consumption in the SCR. Results showing the efficacy of the RL-MPC for NO x control through learning and implementation on the nonlinear SCR dynamic model are presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Combustion, criteria pollutant and soot property assessment of mixing-controlled high-load engine operation with gasoline and diesel

Gasoline compression ignition (GCI) is an emerging technology that can achieve high fuel efficiency and low criteria emissions in diesel engine platforms using gasoline and gasoline-like fuels. While low- and mid-range loads are enabled with low temperature combustion (LTC) approaches, high-loads are more efficient with high temperature combustion (HTC) requiring mixing-controlled combustion (MCC). Lower soot emissions are achieved with gasoline even in high-load MCC than with diesel, but detailed soot properties from gasoline and diesel have been rarely discussed. In order to better understand how high-load operations affect soot properties, in this study gasoline and diesel were tested in a six-cylinder heavy duty engine at 14 bar brake mean effective pressure (BMEP) at similar combustion phasing. Effects of pilot mass ratio and EGR on heat release rates, cylinder temperatures, ignition delay (ID) and combustion duration (CD) were examined, relating with emissions variations with applications of the two fuels. Soot mass and particle number emissions were slightly lower with gasoline than with diesel, resulting in a more favorable NOx-soot trade-off with gasoline like other reports. Contrary to other findings in the literature, gasoline and diesel soot samples presented similar particle distribution shapes, carbon crystalline structures and primary particle sizes, regardless of fuel type and EGR rate. Consequently, the current result proposes that soot particles have undergone similar soot formation and oxidation processes despite reactivity difference and oxygen availability under the examined high-load MCC with similar combustion phases.

02 PETROLEUM↗
DOE OSTI2022

Impact of coolant temperature on the combustion characteristics and emissions of a stratified-charge direct-injection spark-ignition engine fueled with E30

The direct injection spark ignition (DISI) engine has received considerable attention due to its potential to increase the power density of traditional spark ignition engines while significantly improving fuel economy through lean, unthrottled combustion. However, the market introduction of DISI engines operated in a lean combustion mode is inhibited by their unsatisfactory emissions, especially during cold start conditions that make proper mixture formation more challenging. Ethanol-blended gasoline, now a widely used fuel, makes the cold start of a DISI engine more difficult, leading to higher HC and soot emissions because of the high latent heat of vaporization of ethanol relative to gasoline. This work investigated the impact of coolant temperature on the characteristics of combustion and emissions in a stratified-charge DISI engine fueled with an E30 fuel (i.e. 30% ethanol in gasoline), while the coolant temperature was alternated between four levels (45, 60, 75, and 90 °C) to simulate different conditions throughout the warm-up process. The experiments showed that the coolant temperature affected the post-spark inflammation time, as well as the speed, intensity, and stability of the combustion process in the engine. When the coolant temperature rose, the engine produced more NOX and less CO, PM and HC. In addition, high-speed direct photography was used to obtain crank-angle resolved images of fuel sprays and flames in the cylinder. As the coolant temperature rose, the liquid spray lengths became shorter, reducing the possibility of wall wetting, and reduced irradiance from soot particles also indicated less nonpremixed combustion. The in-cylinder imaging results are consistent with the observed combustion and emission characteristics and shed light on the underlying processes. Finally, some potential solutions to the emissions challenges faced here could be either raising in-cylinder temperatures by using trapped residuals or modifying the injection schedule, for example by increasing the number of injections or to inject later in the cycle into a higher-density environment.

42 ENGINEERING↗
DOE OSTI2023

Low-carbon fuels for spark-ignited engines: A comparative study of compressed natural gas and liquefied petroleum gas on a CFR engine with exhaust gas recirculation

Decades of work on low-carbon fuels have established their potential for substantial emissions reductions; however, their adoption is still limited by infrastructure concerns and engine efficiency deficits. As infrastructures have begun to evolve, research on strategies that maximize engine efficiency through interactions with fuel properties must also now take center place. This paper compares the performance, emissions, and combustion characteristics of two forefront low-carbon fuels: compressed natural gas (CNG) and liquefied petroleum gas (LPG) in a cooperative fuel research (CFR) engine over a range of compression ratios and engine loads. The effects of exhaust gas recirculation (EGR), end-gas auto-ignition, and a novel combustion control tool, the combustion intensity metric (CIM), were also evaluated at different stoichiometric engine operating conditions. In comparison to LPG, CNG operation demonstrated an extended knock-free regime, allowing engine operation at higher engine loads and compression ratios, but LPG operation exhibited enhanced combustion characteristics with higher peak pressures and faster apparent heat release rates (AHRR). LPG operation achieved higher brake thermal efficiencies and lower equivalent CO 2 emissions compared to CNG operation at the tested engine loads and compression ratios. LPG demonstrated significantly higher EGR tolerance limits compared to CNG, with a maximum of 28% EGR rate, compared to 23% for CNG. This improved EGR dilution tolerance was responsible for a 90% reduction in NOx emissions for LPG compared to a maximum of 70% with CNG. EGR dilution also exhibited more effective knock mitigation potential with LPG, suppressing knock intensity values by up to 98% and transitioning the engine operation towards normal combustion from heavy knocking conditions. As a result, the CIM was found to decrease burn durations and improve the quality of combustion by controlling the desired fraction of end-gas auto-ignition.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Investigating the potential of a higher reactivity fuel to achieve faster heat-up of aftertreatment systems

Shortening the aftertreatment system heat-up period will be crucial to meet upcoming emissions regulations, which mandate significant reductions in tail-pipe emissions for on-road heavy-duty vehicles. This work studies the impact of increasing fuel reactivity on the combustion of post injections during the expansion stroke. The work demonstrates an operating strategy using a blend of di-butyl ether (a potential low-carbon biofuel component) and #2 diesel that achieves higher exhaust enthalpy, while maintaining similar engine-out emissions (NOx and combustion efficiency) in comparison to the baseline #2 diesel fuel (cetane number 41). On average, a 12% increase in exhaust enthalpy was observed for the blend (cetane number 60) relative to the baseline fuel. The ability to operate the higher reactivity fuel at a more retarded post-injection timing, where combustion with #2 diesel was found to be more unstable, and less complete was key to achieving higher exhaust enthalpy. However, a small fuel penalty (3%–5%) was also associated with the higher reactivity fuel with this operating strategy. The formation of fuel lean regions, due to the long ignition delays at late injection conditions, was predicted to be the leading contributor to the increased emissions of products of partial combustion. Here, chemical kinetic simulations using surrogates for the fuels used in the experiments, demonstrated the ability of a higher cetane fuel to outperform the baseline fuel under fuel lean conditions with equivalence ratios less than 0.7.

09 BIOMASS FUELS↗
DOE OSTI2024

Heterogeneous oxidation of hydrogen-natural gas blends in a safe, clean, and efficient burner design

The growth of hydrogen as an alternative clean fuel for fulfilling thermal energy needs of multiple economic sectors globally requires access to reliable, safe, energy efficient, emission free combustion technology. The work described in this short communication shows the applicability of a novel heterogeneous combustion design in utilizing a wide range of hydrogen blended methane concentrations to cleanly and safely generate thermal energy. The utilization of a simple first principles design approach along with engineered materials yielded a fuel-flexible hybrid infrared-convection burner design capable of lowering NOx emissions by more than 95% while simultaneously improving the heat transfer efficiency by 15% with a wide range of hydrogen concentrations. Here, the safety and performance of the combustion design was demonstrated in an burner at capacities of up to 12,000 Btu/h in producing temperatures of 900 °C. The atmospheric burner concept was integrated in a cooktop configuration with combined thermal power rating of 30,000 Btu/h and operated with hydrogen blended natural gas.

08 HYDROGEN↗
DOE OSTI2022

Biorefinery upgrading of herbaceous biomass to renewable hydrocarbon fuels, Part 2: Air pollutant emissions and permitting implications

The development of advanced biofuel production facilities is still at a nascent stage, and the biorefineries could face challenges in obtaining air permits required for their construction and operation because they are novel emission sources. To fill gaps in knowledge regarding potential emissions, we perform a detailed federal regulatory analysis and estimate air pollutant emissions for an advanced biorefinery that produces renewable diesel blendstock (RDB) from lignocellulosic biomass via aerobic respiration documented in Part 1 of the paper. We evaluate 12 design permutations that include two feedstocks, a uniform format blend (UFB) and corn stover; three biorefinery scales, 2,000, 5,200, and 9,100 dry metric tons per day (dmtd) of lignocellulosic biomass feed; and two lignin uses, as either a boiler fuel or for pellet production. We also evaluate 6 additional design permutations by incorporating non-emitting renewable power, which could reduce up to 63% carbon monoxide (CO) and nitrogen oxides (NO x ) each, 21% volatile organic compounds (VOC), and 43% hazardous air pollutants (HAP) as opposed to on-site power production, for biorefineries that produce pellets, using either UFB or corn stover. Our results indicate that all 18 design permutations would be classified as a major source under the Clean Air Act's New Source Review program without additional emission controls. Compared to using lignin as a boiler fuel, diverting lignin for pellet production reduces the emissions of CO up to 88%, NOx up to 73%, sulfur dioxide (SO 2 ) up to 99%, VOCs up to 72%, and HAPs up to 66%. Additionally, we explore control options that could further reduce emissions and assess whether reductions are enough to achieve minor source classification. Insights from our analysis can help biorefinery developers and regulators develop permitting strategies to mitigate investment risks.

09 BIOMASS FUELS↗
DOE OSTI2022

Biorefinery upgrading of herbaceous biomass to renewable hydrocarbon fuels, Part 1: Process modeling and mass balance analysis

Process simulation has long been a well-established tool to track key operational, design, and mass and energy balance metrics for pre-commercial technologies such as advanced lignocellulosic biofuels. While tools such as this are well-documented in the public literature around 2nd-generation cellulosic ethanol technologies (which have been scaled up to commercial deployment to some degree over the past decade), such models and analysis information remain more sparse for more complex biorefinery pathways focused on producing drop-in hydrocarbon fuels and blend-stocks, particularly regarding information required to support air emissions or other environmental analysis. In this work, we summarize key details for an established "design case" modeling the conversion of herbaceous lignocellulosic biomass into a renewable diesel hydrocarbon blend-stock based on a representative lipid pathway from oleaginous yeast. The process is based on a biochemical deconstruction and upgrading approach utilizing deacetylation and dilute acid pretreatment, followed by enzymatic hydrolysis, fermentation, and catalytic upgrading of hydrolysate sugars to fuels. We provide key mass and energy balance outputs from the process models, with accompanying stream tables and component-level flowrates. A total of 12 model scenarios are presented spanning two feedstocks, three biorefinery scales, and two processing approaches for the lignin/residual solids waste streams. This "Part 1" manuscript presents the resulting impacts across the 12 cases on fuel yields and key output streams, focused here on direct biorefinery air emissions for selected components including CO 2 as well as sulfur (SOx) and nitrogen oxides (NOx). In the context of cleaner production, the latter focus on selected biorefinery air emission outputs establishes an initial baseline estimate and accompanying framework of the model cases, upon which an accompanying "Part 2" study will build to refine the values for these and other air pollutants across these scenarios, also considering mitigation options to comply with applicable regulatory standards. We also highlight further optimization opportunities based on potential tradeoffs identified here between air emissions versus life-cycle greenhouse gas profiles attributed to the disposition of lignin/residual solids.

09 BIOMASS FUELS↗