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DOE OSTI2021

TEA Modeling to Quantify Economic Implications for Biorefinery Processing of Isolated Anatomical Fractions of Corn Stover

The Feedstock-Conversion Interface Consortium (FCIC; https://www.energy.gov/sites/prod/files/2020/01/f70/beto-fcic-overview-web.pdf), a collaboration of nine national laboratory partners, seeks to understand impacts of feedstock attributes on biorefinery performance. It is hypothesized that different individual anatomical fractions of corn stover vary in composition and recalcitrance, such that processing each fraction on its own through dedicated campaigns may enable better biorefinery economics overall relative to processing the whole stover material. This presentation focuses on techno-economic analysis (TEA) modeling to quantify the yield and cost ramifications for processing isolated anatomical fractions of corn stover through a low-temperature conversion biorefinery, reflecting a biochemical processing pathway consisting of biomass deconstruction through pretreatment and enzymatic hydrolysis, sugar fermentation and upgrading to hydrocarbon fuels, and lignin upgrading to value-added coproducts. Commercial-scale process simulation and economic evaluation leveraged experimental and analytical data from FCIC researchers for conversion of whole corn stover plus three individual anatomical fractions (cobs, husks, and stalks) across key steps of the conversion process. Our assessment found encouraging potential for biorefinery economic gains that may be achieved through this approach. TEA results indicated fuel yields varying from 29-44 gallons gasoline equivalent (GGE)/dry ton for the individual anatomical fractions compared to whole stover at 34 GGE/ton, equating to minimum fuel selling prices (MFSPs) between $6.37-$10.18/GGE for the fractions versus $8.76/GGE for whole stover (when lignin is burned), or $9.15-$15.19/GGE for the fractions versus $13.11/GGE for whole stover (when lignin is upgraded to coproducts, based on current experimental performance levels). Cobs and husks demonstrated the ability to achieve the highest fuel yields and lowest MFSPs, outperforming whole stover, while stalks led to the opposite result, as a composite reflection of compositional differences and process convertibility. Notably, even when taking the weighted average of the results reflecting each anatomical fraction weighted by its corresponding makeup of corn stover, this feasibility TEA screening supports feedstock cost allowances on the order of roughly $22-$29/ton as may reflect accommodating additional biomass fractionation equipment during feedstock pre-processing upstream of the conversion biorefinery gate to separate corn stover into such constituent fractions. Or viewed differently, the weighted average MFSP for the fractions was found to be $0.31-$0.32/GGE lower than the MFSP for the whole stover basis across either lignin scenario, when maintaining a fixed biomass feedstock cost. These findings highlight favorable implications for biorefinery economics as may be achieved by moving to a staged campaign approach for processing different corn stover fractions sequentially. Further opportunities exist for future work to fill in data gaps for remaining anatomical constituents (e.g. leaves) that were not included in the initial experimental studies, though are expected to maintain similar trends.

biochemical processing pathway↗

DOE OSTI2022

Fuel and fuel blend for internal combustion engine

A fuel or fuel blending agent for an internal combustion engine includes a ketone compound that is a C 4 to C 10 branched acyclic ketone, cyclopentanone, or a derivative of cyclopentanone. The ketone compound may be blended with a majority portion of a fuel selected from the group consisting of: gasoline, diesel, alcohol fuel, biofuel, renewable fuel, Fischer-Tropsch fuel, or combinations thereof. The ketone compound may be derived from biological sources. A method for powering an internal combustion engine with a fuel comprising the ketone compound is also provided.

Dec, John E.↗

DOE OSTI2023

Simulation and Optimization of Volatile Fatty Acid Upgrading Strategies for Sustainable Transportation Fuel Production

The multicomponent nature of and variability of biomass makes chemical upgrading via a single process stream to a single end use infeasible for most feedstocks. A more promising approach is to identify upgrading strategies (encompassing bioprocessing, catalysis, and separations) which valorize varied biomass fractions to distinct products to which each is best suited. A robust procedure to carry out this goal should incorporate comparison of various upgrading procedures as well as suitability of products to a slate of identified end uses. We applied this strategy to one biomass-derived feedstock, volatile fatty acids (VFAs) derived from wet waste arrested anaerobic digestion, by developing a computer program, VFA Upgrading to Liquid Transportation fUels Refinery Estimation (VULTURE) which evaluates VFA catalytic upgrading to liquid transportation fuels. VULTURE considers multiple separations, catalysis (ketonization, hydrogenation), and fuel application options, generating hundreds of candidate scenarios for a given VFA stream, then selects several promising strategies that optimize bio-content of products with properties best suited for target fuel types. We find that VFAs are upgraded most efficiently when separate light alcohol (C3-6) and heavy hydrocarbon or alcohol (C7-13) fractions are targeted to create gasoline and heavy-duty (diesel or jet) fuels or fuel blends. Surrogate property testing of VULTURE-recommended fuels reveals that most predictive models employed are robust, while rigorous process simulation shows that the simple unit operation assumptions used in VULTURE are largely accurate, especially for heavy-duty fuel synthesis. Techno-economic and life-cycle analyses show that VFA-derived fuels are profitable and have dramatically (=57%) lower carbon intensities than fossil analogs.

BIOMASS FUELS↗

DOE OSTI2023

Comparative Techno-Economic Analysis of Available Feedstocks for High-Temperature Conversion: Whole Tree Thinnings and Mature Pine Residues

The techno-economic and life cycle implications of utilizing low-cost feedstocks in a high temperature conversion process are of great interest. Here, we investigate the conversion cost impacts of two underutilized feedstocks from the commercial pine industry: 13-year-old whole trees, representing trees removed for the purpose of precommercial thinning, and 23-year-old pine residues, representing a waste stream produced from the deconstruction of mature trees for other purposes. Experimental fast pyrolysis (FP) yields for each feedstock were adjusted to a catalytic fast pyrolysis (CFP) basis and used to estimate process economics by employing published correlations based on rigorous techno-economic modeling. These correlations were used in tandem with results from supply and preprocessing analyses to evaluate the field-to-fuel economics of each feedstock. A small difference in minimum fuel selling price (MFSP) was found between the conversion costs for the two feedstocks, with 23-year-old residues demonstrating a net benefit of $0.27 per gasoline gallon equivalent (GGE) compared to the 13- year-old whole tree thinnings, driven primarily by feedstock supply costs. This suggests that both whole tree thinnings and pine residues may be viable feedstock options for CFP conversion. Life cycle inventories (LCIs) were also generated for each case, enabling a field-to-fuel quantification of the cost and carbon cycle associated with each feedstock.

catalytic fast pyrolysis↗

DOE OSTI2023

Catalysts and process for liquid hydrocarbon fuel production

The present invention provides a novel process and system in which a mixture of carbon monoxide and hydrogen synthesis gas, or syngas, is converted into hydrocarbon mixtures composed of high quality gasoline components, aromatic compounds, and lower molecular weight gaseous olefins in one reactor or step. The invention utilizes a novel molybdenum-zeolite catalyst in high pressure hydrogen for conversion, as well as a novel rhenium-zeolite catalyst in place of the molybdenum-zeolite catalyst, and provides for use of the novel catalysts in the process and system of the invention.

White, Mark G.↗

DOE OSTI2023

Fuel and fuel blend for internal combustion engine

Dec, John E.↗

DOE OSTI2023

Additives for improving autoignition reactivity of hydrocarbon-based fuels

According to various aspects, an additive for a hydrocarbon-based fuel has a formula (I), in which R 1 , R 2 , and R 3 are each independently selected from —H, —CH 3 , or —CH 2 CH 3 , and at least one of R 1 , R 2 , and R 3 is not —H. The additive improves an autoignition reactivity of the hydrocarbon-based fuel. The additive can be present in the fuel composition including the additive and the hydrocarbon-based fuel in an amount of 0.1% by volume to 5% by volume. The hydrocarbon-based fuel can comprise gasoline or diesel.

Lopez Pintor, Dario↗

DOE OSTI2024

Impacts of the Inflation Reduction Act on Consumer Energy Expenditures

The Inflation Reduction Act introduced or expanded a suite of federal tax credits for clean electricity generation and customer adoption of electric (and other highly efficient) end-use equipment. These incentives are expected to drive changes in both the electricity generation mix and demand for electricity (especially for space heating and light-duty vehicles), which are highly interconnected. In this session, Caitlin Murphy, Group Manager and Senior Analyst in NREL's Strategic Energy Analysis Center, will present findings from her team's recent state-level analysis on the combined effects of various IRA incentives on customer expenditures for electricity, natural gas, and gasoline. She will present and explain the regional variations observed in their analysis, based on interactions between end-use equipment cost and performance and projections for future energy prices.

air source heat pump↗

DOE OSTI2024

Towards Net-Zero: Nuclear-Assisted Waste Biomass to Liquid Fuel in Eastern Idaho

A nuclear assisted carbon negative hybrid energy process that enables production of synthetic bio-crude oil and biochar from Eastern Idaho waste biomass is proposed. The process integrates nuclear powered electricity with high temperature steam electrolysis and biomass hydropyrolysis. The bio-crude oil is of sufficient composition and blended with traditional crude oil at a refinery. Hydrogen from the electrolyzer is pressurized and inserted into the pyrolyzer. Non condensable gases generated in the hydropyrolysis process are burned with oxygen from the electrolyzer to produce heat for the electrolyzer, biomass dryer, and pyrolyzer. The biochar is returned to the soil via fertilizer application and remains there for thousands of years. Since the total process uses nuclear generated electricity, the carbon in the biochar is ultimately sequestered from the atmosphere, thus making the process carbon negative. Using Eastern Idaho wheat or barley straw, this hybrid energy process has the potential to provide an alternative petroleum source. Two options exist for the system design: 1) send electricity from the nuclear plant and straw to a chemical processing plant to produce the bio-crude and biochar, 2) construct the biomass processing facility near the nuclear plant to allow use of nuclear-generated process heat to drive the chemical. Process model description and results are discussed. The process is sized to produce gasoline and diesel at the rate that the INL uses every day for fleet usage.

09 BIOMASS FUELS↗

DOE OSTI2020

Turning a liability into an asset: creating liquid transportation fuels from CO2, natural gas, or RNG

GTI will be discussing our Cool GTL process, a new low cost versatile integrated modular process which can convert CO2, methane, ethane, and biogas, to gasoline jet and diesel with no wax intermediate product. We have tested Cool GTL at small scale and are beginning tests at larger 2 gallon/day scale for biogas conversion ( with DOE funding). Our ultimate goal is to have several commercial deployments of Cool GTL in a variety of applications running in 5 years. Most exciting is the fact that Cool GTL can totally eliminate Global Warming and produce all the worlds transportation fuel by conversion of the excess CO2 currently in the air to liquid transportation fuels, leading to a modern revolution in the way transportation fuels are produced.

09 BIOMASS FUELS↗

DOE OSTI2024

Requesting an Exemption from Standard Compliance: EPAct State and Alternative Fuel Provider Fleet Program Guidance Document

The U.S. Department of Energy established the Alternative Fuel Transportation Program (Program) and associated regulatory requirements pursuant to the Energy Policy Act of 1992. The Program, otherwise known as the State and Alternative Fuel Provider Fleet Program, requires covered state government and alternative fuel provider fleets operating under Standard Compliance to acquire alternative fuel vehicles (AFVs) as a specific percentage of their annual non-excluded light-duty vehicle acquisitions. The opportunity for covered fleets operating under Standard Compliance to request exemptions from their AFV-acquisition requirements serves as administrative relief in the unlikely event a fleet is unable to satisfy its requirements through the normally available compliance alternatives. These alternatives include the acquisition of light-duty AFVs, the acquisition of other, creditable vehicles (e.g., gasoline-fueled hybrid electric vehicles), making certain investments, the purchase of biodiesel for use in medium- or heavy-duty vehicles to the maximum extent allowed, and purchasing or trading for banked AFV credits. This document addresses requests for exemptions from the AFV-acquisition requirements to help covered fleets better understand: How to file a request for an exemption, information and documentation DOE needs to process an exemption request, and important policies relevant for filing exemption requests.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗

DOE OSTI2022

NIR Dataset and Models (Near-Infrared Spectroscopy Calibration Dataset for Butanediol Fermentation and Multivariate Calibration Models) [SWR-22-60]

2,3-butanediol (2,3-BDO) is an economically important platform chemical that can be used in a variety of chemical feedstocks, liquid fuels, and biosynthetic building blocks. While 2,3-BDO can be efficiently produced by fermentation, the fermentation requires continuous monitoring and control to maximize 2,3-BDO yields and minimize inhibitory coproducts. Because of the time required for sampling and at-line measurement of fermentation samples with high pressure liquid chromatography (HPLC), the ability for operators to perform real-time modification to fermentation conditions is limited. To overcome this challenge, researchers from the National Renewable Energy Laboratory (NREL) have developed a calibration model which can predict the concentration of several analytes in real-time using near-infrared (NIR) spectra of the filtered fermentation broth. While significantly reducing the need for off-line sampling, NREL expects this technology to play a critical role in maximizing 2,3-BDO production. 2,3-butanediol (2,3-BDO) is a useful chemical platform that can be used to create a variety of products. For instance, 2,3-BDO can be (1) dehydrated and converted into methyl ethyl ketone, a liquid fuel additive or (2) deoxydehydrated into 1,3-butadiene for synthetic rubber, which can also be oligomerized in high yields to gasoline, diesel, and jet fuel. In order to maximize 2,3-BDO production, frequent measurement of fermentation samples is needed, as small changes in oxygen concentration can drive the fermentation to undesired products. For example, oxygen-deficient conditions result in glycerol production, while excess oxygen concentrations result in acetoin production. This results in the need for measuring dissolved oxygen, glucose, and xylose concentrations in order to optimize the aeration rate of the fermentation. Traditional monitoring methods occurs off-line and can take up to 30 minutes per sample. With multiple fermenters and high-pressure liquid chromatography (HPLC) injectors, resulting in the need for multiple samples, the sampling process can take hours to complete. NREL’s calibration model can predict the glucose, xylose, 2,3-BDO, acetoin, and glycerol concentrations from NIR spectra of filtered fermentation liquor samples. Using a partial least-squares (PLS) calibration model, NREL’s model can monitor the concentration of these analytes during subsequent fermentations at bench- and pilot-scale, demonstrating the utility of NIR spectroscopy combined with chemometrics for real-time, at-line monitoring of 2,3-BDO fermentations.

Wolfrum, Edward↗

DOE OSTI2022

Chemical kinetic interactions and sensitivity analyses for 2-ethylhexyl nitrate-doped PRF91 using a reduced mechanism

A numerical and experimental investigation about the chemical kinetic interactions between 2-ethylhexylnitrate (EHN) and PRF91 was performed in this study. Rapid compression machine experiments were conducted to investigate the effect of EHN on the autoignition reactivity of the fuel, and a reduced chemical kinetic mechanism was developed including an EHN sub-model. Experiments showed that the ignition delay decreases as the fuel is doped with EHN, but the effect of the doping level of EHN on the ignition is highly non-linear. Moreover, experiments showed that the EHN effectiveness is lowest during the transition between the low-temperature regime and the negative temperature coefficient (NTC) regime, and it rapidly increases as the temperature increases. Both detailed and (developed) reduced mechanisms were validated against the experimental results, allowing a more in-depth EHN-fuel chemistry study. Additionally, ignition delay sensitivity and EHN effectiveness sensitivity analyses were performed with the reduced mechanism to identify the reactions that control the interaction between EHN and the fuel. As the result, EHN thermal decomposition is only relevant for very low temperatures. The chemistry of EHN-doped fuel is more sensitive to intermediate temperature reactions than that of straight fuel, especially at lower temperatures, due to the effect of EHN on the NTC behavior of the fuel. Finally, the chemistry of EHN-doped fuel is very sensitive to NO 2 -to-NO reactions, especially at high temperatures, because these reactions transform the NO 2 generated by EHN into NO, which is a very effective fuel reactivity enhancer.

2-ethylhexyl nitrate↗

DOE OSTI2021

Experimental study of sprays with isooctane, hexane, ethanol and their binary mixtures under different flash boiling intensities

Here, this work investigated the behaviors of single-component and multi-component sprays under different flash boiling intensities. Isooctane, hexane, ethanol, isooctane-hexane, and isooctane-ethanol mixtures were used as test fuels. The pressure ratio of the ambient pressure over saturation pressure (R p ) was used as the indicator of the superheated degree. Macroscopic characteristics of the sprays under 10 different R p (1.1 to 0.14) were investigated using Diffused Backlight Imaging (DBI). Droplet size, which revealed the spray microscopic characteristics, was also investigated using Phase Doppler Anemometry (PDA). The results showed that ambient pressure reduction led to higher flash boiling intensity, significant spray morphology changes, and smaller droplet size, regardless of the fuel type and blend ratios. Spray collapse was observed for all sprays once R p dropped below 0.3. Spray collapse dramatically increased the liquid penetration length, expanded the near-field spray angle, and reduced the far-field angle for sprays with all the fuels. Fuel properties, such as the latent heat of vaporization, had significant impacts on droplet size distributions, thus altering the liquid penetration length and spray angles. Under similar R p , sprays with high ethanol content generally had larger droplet sizes compared with other fuel sprays due to the high latent heat of vaporization. The larger droplets caused the high ethanol content sprays to be more resistant to the plume trajectory change, resulting in a smaller far-field spray angle variations with changing R p . At R p of 0.28, sprays with the similar latent heat of vaporization have similar droplet sizes, and droplet sizes at different radial locations were also similar to each other.

42 ENGINEERING↗

DOE OSTI2022

Screening and evaluation of biomass upgrading strategies for sustainable transportation fuel production with biomass-derived volatile fatty acids

Biomass conversion to fuels and chemicals is crucial to decarbonization, but choosing an advantageous upgrading pathway out of many options is challenging. Rigorously evaluating all candidate pathways (process simulation, product property testing) requires a prohibitive amount of research effort; even simple upgrading schemes have hundreds of possible permutations. We present a method enabling high-throughput screening by approximating upgrading unit operations and drop-in compatibility of products (e.g., fuel properties) and apply it to volatile fatty acid (VFA) conversion to liquid transportation fuels via a MATLAB script, VFA Upgrading to Liquid Transportation fUels Refinery Estimation (VULTURE). VULTURE selects upgrading configurations that maximize fuel blend bio-derived content. We validate VULTURE's approximations through surrogate fuel property testing and process simulation. Techno-economic and life cycle analyses suggest that VFA upgrading processes down-selected by VULTURE are profitable and have low carbon intensities, demonstrating the potential for the strategy to accelerate process development timelines at decreased costs.

09 BIOMASS FUELS↗

DOE OSTI2023

Modeling Ethanol-Blend Fuel Sprays under Direct-Injection Spark-Ignition Engine Conditions

Computational modeling of fuel-injection and fuel-impingement processes was carried out to provide insight into previous experimental results obtained from a direct-injection spark-ignition research engine operated with various ethanol and aromatic fuel blends. Seven model fuels were evaluated using both single- and split-injection strategies. Model results showed that droplet vaporization enriched the concentrations of aromatic species in the liquid phase, especially those with low vapor pressure, and ethanol-containing fuels altered droplet sizes and led to increased liquid-phase mass in the cylinder. For the spray-modeling conditions studied, most of the injected fuel remained in the liquid phase, which would be expected to result in more fuel impingement on cylinder or piston surfaces. Fuel impinging on lower cylinder-temperature surfaces was found to create wall films that could interact with the piston during the compression stroke. Fuel impinging on hotter piston-temperature surfaces vaporized more readily, but for fuels with high ethanol and aromatic content, wall films remained and were highly concentrated with lower vapor pressure and aromatic compounds. These films could lead to pool fires during combustion and therefore significant particulate matter emissions.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

DOE OSTI2023

ϕ-Sensitivity of Gasoline/Oxygenate Blends in an Advanced Compression Ignition Engine

Not Available

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Household Transportation Energy Affordability by Region and Socioeconomic Factors

Transportation fuel is an important component of household budgets, as 3.3% of total household expenditures are for vehicle fuel nationwide and over 50% of annual household expenditures on energy are for transportation. These average values vary geographically, and higher energy cost burdens are faced by households with lower incomes. Defining transportation energy affordability burden as the percentage of annual household income spent on vehicle fuel, this study aims to quantify affordability as a function of household characteristics and geography. Here, through analysis at the census tract level, this study (i) projects annual household vehicle miles traveled (VMT) based on demographic factors using machine-learning techniques, (ii) estimates local differences in vehicle fuel economy and fuel price, and (iii) quantifies resulting transportation energy affordability by census tract. This study found that the average burden by tract varies from 0.15% to 8%. The variation in affordability can be largely explained by income level and vehicle fuel efficiency. Suburban and rural households spend more on transportation energy compared with urban households because of the usage of less fuel-efficient vehicle technologies and higher annual VMT. Lower-income groups have a wide distribution of the percentage of income spent on transportation energy, 1.2% to 8%, whereas the range for the highest income group ($125,000+) is from 0.15% to 3.9%. This detailed transportation energy affordability analysis provides a better understanding of regional variations in household travel behavior, helps to determine where fuel-efficient vehicle technologies are more likely to be used, and improves estimates of vehicle ownership costs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗