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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Experimental measurements of soot formation in fuel-rich homogeneous mixtures using an optical rapid compression machine

Advanced combustion strategies are necessary for the use of more environmentally sustainable fuels than traditional diesel. Alcohol fuels and alcohol/gasoline blends are of particular interest as they are readily available in the marketplace. Heavy-duty engines typically use compression ignited, conventional diesel mixing controlled combustion. Mixing controlled combustion features a non-premixed diffusion flame with a wide range of local equivalence ratios, leading to potentially high rates of soot formation. This work studies the sooting behavior of iso-octane and ethanol as a function of equivalence ratio. Measurements are carried out in a rapid compression machine (RCM) and are reported for pre-ignition conditions of 10–30 bar and temperatures of 650–800 K. Theoretical equilibrium and bulk gas temperatures are calculated for both fuels. These data are used to identify the critical equivalence ratio, the lowest equivalence ratio where soot is detected with a single-pass laser extinction diagnostic. The critical equivalence ratio for iso-octane varies between 1.82 and 1.77 for compressed pressures of 10 and 20 bar, respectively. Ethanol, sometimes considered sootless, had a critical equivalence ratio between 2.37 and 2.12 for compressed pressures of 20 and 30 bar, respectively. When characterizing soot formation by oxygenated equivalence ratio, the critical equivalence ratios for ethanol approach those of iso-octane. This suggests the oxygenated nature of alcohol fuels reduces sooting tendency, but other factors such as fuel molecular structure and morphology may play a role. It was observed that ethanol will form soot at equivalence ratios only slightly higher than iso-octane, which could have implications in mixing controlled combustion. It was seen for both fuels that soot formation is pressure sensitive, with the critical equivalence ratio being inversely proportional to compressed pressure and the rate of soot formation. Future work will investigate the sooting behavior of gasoline/ethanol blends.

02 PETROLEUM↗
DOE OSTI2026

Data for Resourceful and Economical Designing of Fermentation Medium for Lab and Commercial Strains of Yeast from Alternative Feedstock: Transgenic Oilcane

Sugarcane plant engineered to accumulate lipids in its vegetative tissue is being developed as a new bioenergy crop. The new crop would be a source of juice, oil, and cellulosic sugars. However, limited tolerance of industrially recognized yeasts towards inhibitors generated during the processing of lignocellulosic biomass to produce fermentable sugars is a major challenge in developing scalable processes for second-generation drop-in fuel production. To this end, hydrolysates generated from engineered sugarcane—‘oilcane’ bagasse contain added phenolics and fatty acids that further restrict the growth of fermenting microorganisms and necessitate nutrient supplementation and/or detoxification of hydrolysate which makes the fermentation process expensive. Herein, we propose a resourceful and economical approach for growing lab and commercial strains of S. cerevisiae on unrefined cellulosic sugars aerobically and fermentatively. An equal ratio of hydrolysate and juice was found optimum for growth and fermentation by lab and commercial strains of Saccharomyces cerevisiae engineered for xylose fermentation. The industrial strain grew and fermented efficiently under low aeration conditions having an ethanol titer, yield, specific and volumetric productivities of 46.96 ± 0.19 g/l, 0.51 ± 0.00 g/g, 0.27 ± 0.02 g/g.h and 1.95 ± 0.01 g/l.h, respectively, while the lab strain grew better under higher aeration conditions having the ethanol titer, yield, specific and volumetric productivities of 24.93 ± 0.09, 0.27 ± 0.00 g/g, 0.17 ± 0.00 g/g.h and 1.04 ± 0.00 g/l.h, respectively. Acclimation of cultures in a blended medium significantly improved the performance of the yeast strains. The addition of transgenic oilcane juice, which is inedible and rich in amino acids, to the hydrolysate averted the need for expensive nutrient supplementation and detoxification steps of hydrolysate. The approach provides an economical solution to reduce the cost of fermentation at an industrial scale for second-generation drop-in fuel production.

Biomass Analytics↗
DOE OSTI2022

Evaluation of erosion potential of bio-based multicomponent blendstocks using experimentally-validated computational fluid dynamics

The optimization of the fuel-engine interface and associated performance is a significant goal for CoOptima and the industry. The strategic driver for fuel-engine optimization is clear: diesel optimization can significantly reduce emissions including NOx, particulate matter, and CO2 emissions. Previous evaluations of ethanol and diesel blends raised significant concerns with fuel injector erosion using ethanol blends. While Sylvatex’s technology can use ethanol, it also utilizes a surfactant and water to compatibilize and modify ethanol blends, thereby controlling its impact in diesel engines. The results from the project will (1) provide important insights into complex fuels and erosion, which will be used to design additional, improved formulations; and (2) expand capabilities of Argonne’s cavitation-induced erosion risk assessment (CIERA) tool to model multi-component systems, furthering Co-Optima objectives.

09 BIOMASS FUELS↗
DOE OSTI2026

One Earth Energy CO 2 Capture Facility FEED Study and Class 4 Cost Estimate

The One Earth Energy (OEE) plant in Gibson City, Illinois produces ethanol through a corn fermentation process. For this project, the maximum possible ethanol production rate for this facility is 160 million gallons per year (MMgal/yr) based on discussions with plant personnel regarding recent annual production rates and any foreseeable plans or possibilities to increase ethanol production at this facility. Yeast ferments the corn mash to produce ethanol and produces carbon dioxide (CO 2 ) as a by-product at the same time. The CO 2 bubbles out of the mash and flows through a packed bed water scrubber to remove volatile organic compounds before the gas vents to atmosphere. CO 2 will be captured after it has passed through the existing scrubber.

09 BIOMASS FUELS↗
DOE OSTI2023

Simulation of a rapid compression machine for evaluation of ignition chemistry and soot formation using gasoline/ethanol blends

Due to the projected decline of demand for gasoline in light duty engines and the advent of ethanol as a green fuel, the use of gasoline/ethanol blend fuels in heavy duty applications are being investigated as they are projected to have lower cost and lower lifecycle green house gas (GHG) emissions. In heavy duty engines, the primary mode of combustion is mixing controlled combustion where wide range of mixture conditions (equivalence ratio) exist. Soot emissions of these fuels in richer conditions are not well understood. The goal of this research is to evaluate some commercially available soot modeling codes for the particulate matter emissions from gasoline/ethanol fuel blends, especially at fuel rich conditions. A Rapid Compression Machine (RCM) is modeled in a three-dimensional numerical simulation using CONVERGE computational software using a reduced chemical kinetic mechanism with SAGE chemistry solver and a RANS k-ϵturbulence model with a sector model including the creviced piston. The creviced piston is used in the experimental setup to reduce boundary layer effects and to maintain a homogeneous core in the reaction cylinder. Computational fluid dynamics simulations are conducted for different gasoline-ethanol fuel blends from E10 (10% ethanol v/v) to E100. The fuel blend is modeled as a surrogate mixture of toluene, iso-octane, n-heptane for gasoline content, and ethanol. The computational results were validated against experimental results using pressure measurements and laser extinction diagnostics. Different soot models are investigated to evaluate their capability of predicting the sooting tendencies of fuel blends, especially in richer conditions experienced during mixing-controlled combustion. The experimental combustion characteristics such as the ignition delay of different blends of fuel are reasonably well predicted. The Particulate Size Mimic (PSM) model accurately predicts the soot generation characteristics of the different fuels, but the Hiroyasu-NSC model falls short in this regard. For accurate prediction of soot with the PSM model, the thermodynamic conditions during combustion must be accurately modeled. While the current computational modeling tools can produce accurate results for the prediction of particulate matter emissions, there is much work to be done in improving our understanding of the underlying fundamental processes.

Energy & Fuels↗
DOE OSTI2023

Synergy of Oxygen Vacancies and Base Sites for Transfer Hydrogenation of Nitroarenes on Ceria Nanorods

CeO 2 nanorod based catalysts for the base-free synthesis of azoxy-aromatics via transfer hydrogenation of nitroarenes with ethanol as hydrogen donor have been synthesized and investigated. The oxygen vacancies (O v ) and base sites are critical for their excellent catalytic properties. The O v , i.e., undercoordinated Ce cations, serve as the sites to activate ethanol and nitroarenes by lowering the energy barrier to transfer hydrogen from α–C sp3 –H in ethanol to the nitro group coupling it to the redox reactions between Ce 3+ and Ce 4+ . At the same time, the base sites catalyze the condensation step to selectively produce azoxy-aromatics. Finally, the catalytic route opens a much improved way to use non-noble metal oxides without additives for the selective functional group reduction and coupling reactions.

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

Biomass Quality Responses to Selection for Increased Biomass Yield in Perennial Energy Grasses

Perennial grasses are candidates for biomass cropping systems that are focused on providing a wide range of ecosystem services in addition to sustainable bioenergy production. Switchgrass (Panicum virgatum L.) and big bluestem (Andropogon gerardii Vitman) are two of the dominant grasses of the tallgrass prairie and both are candidates for development of multifunctional diverse production systems. Breeding programs for both species are aimed at increasing biomass yield as a mechanism of improving economic sustainability without increasing production costs. The objective of this study was to determine if long-term selection for increased biomass yield in these two species has had any adverse impacts on biomass quality, or the ability to convert biomass into bioenergy. Check cultivars and improved breeding populations of both species were evaluated for a wide range of biomass quality traits at 13 locations in the North Central and Northeastern USA, and a subset of these populations were also subjected to more intensive and detailed fermentation analyses. In general, lignin and ferulates either remained constant or decreased following selection for increased biomass yield in the various genetic pedigrees. These changes resulted in some increases in predicted ethanol production and in vitro digestibility. Here, the prediction of increased digestibility was confirmed by higher glucose release by pretreatment and deconstruction of an advanced lowland population. However, bioreactor fermentations with two different biofuel-producing microbes showed no differences in ethanol production. Overall, these studies indicated that the improved switchgrass and big bluestem populations had greater biomass yields without significantly reducing biomass quality or conversion efficiency into ethanol, suggesting that selection can achieve increases in biomass productivity while maintaining consistent biomass quality.

09 BIOMASS FUELS↗
DOE OSTI2025

Effect of CO on alcohol oxidation over commercial oxidation catalysts for control of emissions from lean-burn engines

For commercialization, alcohol-based net-zero carbon fuels in diesel-driven internal combustion engines must meet emissions standards set by the U.S. Environmental Protection Agency. Here, a series of aged commercial oxidation catalysts, Pt diesel oxidation catalyst (DOC), Pd+Pt DOC, and Pt oxidation catalyst (Pt OC), were studied using an automated flow reactor and in situ DRIFTS techniques to investigate the impact of CO on alcohol oxidation. Surface formate and acetate intermediates were formed due to partial oxidation of methanol and ethanol, respectively. Sequential introduction of alcohol and CO experiments using in situ DRIFTS on all three catalysts showed that CO inhibited low temperature methanol oxidation. Mutual inhibition effects between CO and ethanol were observed during co-oxidation. Acetate species shifted CO oxidation to higher temperatures on Pt DOC and Pt OC, whereas CO pre-exposure inhibited acetate formation. CO oxidation occurred at lower temperatures during ethanol and CO co-oxidation on Pd+Pt DOC.

33 ADVANCED PROPULSION SYSTEMS↗
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 OSTI2025

Spatially Aligned Binary Single-Site Catalyst on Defective SiO 2 for Cascading Reactions

Capitalizing on the success of single-atom catalysts (SACs), dual-atom catalysts (DACs) have emerged as a new frontier in heterogeneous catalysis. However, most SACs and DACs studies seek to uniformly distribute the catalytic sites on the support material, which can hinder their effectiveness in intricate multistep cascading reactions. Particularly, it is a grand challenge to precisely control the spatial distribution of two different single sites forming binary sites so that reactants and intermediates contact the catalytic sites in the exact sequence required by the reaction steps. Here, in this work, we report a new type of binary single-site catalyst, Cu 1 –Zr 1 @SiO 2 , with Cu 1 and Zr 1 sites spatially aligned with the reaction sequence of the cascade reactions. The catalyst is synthesized by a modified reverse microemulsion approach, with single Cu sites anchored by nonbridging oxygen hole centers, which were induced by doping single Zr sites into SiO 2 . Low-energy ion scattering spectroscopy (LEIS) reveals that the outermost surface of the catalyst contains only Cu single sites, while the Zr sites are dispersed in the bulk. The catalytic performance is demonstrated in ethanol conversion to butenes, a model cascade reaction which includes ethanol dehydrogenation and aldol condensation steps. The precisely spatially controlled binary sites enable ethanol to first undergo dehydrogenation to acetaldehyde on Cu sites, followed by aldol condensation of acetaldehyde on Zr sites. As a result, C 3+ olefins selectivity as high as 77.0% (56.0% selectivity of butenes) is achieved by suppressing ethylene formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Synergy of Oxygen Vacancies and Base Sites for Transfer Hydrogenation of Nitroarenes on Ceria Nanorods

Abstract CeO 2 nanorod based catalysts for the base‐free synthesis of azoxy‐aromatics via transfer hydrogenation of nitroarenes with ethanol as hydrogen donor have been synthesized and investigated. The oxygen vacancies (O v ) and base sites are critical for their excellent catalytic properties. The O v , i.e., undercoordinated Ce cations, serve as the sites to activate ethanol and nitroarenes by lowering the energy barrier to transfer hydrogen from α−C sp3 −H in ethanol to the nitro group coupling it to the redox reactions between Ce 3+ and Ce 4+ . At the same time, the base sites catalyze the condensation step to selectively produce azoxy‐aromatics. The catalytic route opens a much improved way to use non‐noble metal oxides without additives for the selective functional group reduction and coupling reactions.

Yuan, Ziliang↗
DOE OSTI2022

Application of a headspace GC–MS method to evaluate the product quality of alcohol‐based hand wipe sanitizers

Abstract The investigation of marketed hand wipe sanitizers presented an analytical challenge owing to the need for extraction from the solid matrix of the products. The present work describes the development of a new sample preparation method for the extraction of analytes from the hand wipe sanitizer matrix into dimethyl sulfoxide for analysis using headspace GCMS. Alcohol‐based hand sanitizer (ABHS) wipe products labeled to contain ethanol or isopropanol as active ingredients were tested, varying in the size and weight of the wipes. The spike recovery assay was confirmed using spiking solutions containing impurities at concentrations equivalent to 50, 100 and 200% of the interim concentration limits. All of the tested analytes showed recovery within the allowable limits (80–120%). Six marketed ABHS wipe products were tested and no impurities above the FDA interim limits were observed. One product contained ethanol below the 60% v/v limit and another product was mislabeled for isopropanol and was found to contain ethanol instead. Four of the six ABHS products did not meet the label claim, which may affect the product quality. The analytical method and sample preparation procedures will provide the FDA and ABHS manufacturers with the capability to conduct quality assurance testing of hand wipe sanitizers for active ingredient content and impurities.

Biochemistry & Molecular Biology↗
DOE OSTI2020

Comparative study on the novel umami‐active peptides of the whole soybeans and the defatted soybeans fermented soy sauce

Abstract BACKGROUND Two kinds of soy sauce produced via fermentation of the whole soybeans and the defatted soybeans (soy sauce termed ‘SSS’ and ‘SSD’, respectively) were subjected to the treatment using aqueous ethanol solutions with high concentrations. Then tasty peptides were separated from SSS and SSD by sensory guided fractionation, using macroporous resin and reverse‐phase high‐performance liquid chromatography (RP‐HPLC), and identified by ultra‐performance liquid chromatography quadrupole time‐of‐flight tandem mass spectrometry (UPLC‐Q‐TOF‐MS/MS). Results The result showed that umami‐active fractions and ≤ 3 kDa peptides were mainly concentrated in the supernatants resulted from the treatment with 60% ethanol and the precipitates resulted from the treatment with 80% ethanol. The contents of ammonia nitrogen, non‐salt solids, bitter amino acids, amino acids in peptides and the proportion of ≤ 3 kDa peptides in SSS were higher than those in SSD. Sixteen and fourteen tasty peptides were separated from SSS and SSD, among them five dipeptides (γ‐Glu‐Glu, Glu‐Glu, γ‐Glu‐Cys, γ‐Glu‐Leu, Glu‐Leu and Ile‐Glu) with a glutamic acid residue were identified both in SSS and SSD, which have been reported as umami/kokumi‐active peptides in soy sauce. Several peptides identified from SSS (Thr‐Gly‐Cys, Gly‐Leu‐Glu, Val‐Glu‐Ala‐Leu and Gly‐Gly‐Gly‐Glu) and SSD (Asp‐Arg, Asp‐Ala‐Glu, Glu‐Val‐Cys and Gly‐Gly‐Gly‐Glu) are tasty and/or umami‐active peptides but have not been reported as tasty peptides in the past. Conclusion Most of the peptides separated from SSD and SSS could impart an umami‐enhancing effect on soy sauce, and the marginally more kokumi and bitterness hydrophobic peptides were found in SSS than SSD. © 2020 Society of Chemical Industry

Zhu, Xiping↗
DOE OSTI2023

Sustainable Supply Chains by Integrating Life Cycle Modeling and Techno-Ecological Synergy with Application to Mitigation of Harmful Algal Blooms

Harmful algal blooms (HABs) are a challenge in water bodies across the planet and are often caused by fertilizer runoff from intensively farmed lands. This chapter describes a framework by which producers of biomass-based products could manage their supply chain to encourage mitigation of HABs and their life cycle environmental impacts, while also considering economic implications. The emphasis is on corn-based products such as ethanol in the region around Lake Erie in Northwest Ohio. It shows how wetland ecosystems could be designed synergistically with farming practices, transportation of the corn, and conversion and use of ethanol. The resulting techno-ecologically synergistic supply chains can be environmentally and economically superior to conventional techno-centric supply chains. The resulting designs can help ethanol manufacturers choose between farms, encourage farmers to adopt wetland ecosystems for intercepting and mitigating nutrient runoff, and determine the location of biorefineries for optimizing environmental and economic objectives.

air quality regulation↗
DOE OSTI2026

Deacetylation and Mechanical Refining Pathway for the Bioconversion of Sugarcane Bagasse

Advancing lignocellulose biorefining is imperative for the deployment of cellulosic (2G) biofuels. This work investigates the tailoring of the alkaline deacetylation and mechanical refining (DMR) pathway for the bioconversion of sugarcane bagasse. Experiments are conducted at laboratory and pilot scales, varying the pretreatment conditions (70–92 °C; 48–100 g NaOH /kg) and the mechanical refining technologies (PFI and disk refining). The pretreatments selectively solubilize acetyl groups (> 86%) and lignin (10–63%) while mostly preserving structural carbohydrates in the solid phase. Enzymatic hydrolysis generates hydrolysates of clean sugars (glucose and xylose), with sugar yields increasing up to 81% for glucose and 89% for xylose in response to delignification and mechanical refining. Biochemical methane potential assays reveal specific methane productions of up to 568 NmL CH₄ gVS⁻¹ for alkaline liquor monodigestion and 344 NmL CH₄ gVS⁻¹ for co-digestion with sugarcane vinasse from the conventional (1G) sugarcane ethanol, indicating a strong potential for bioenergy recovery from this process stream. Synergies are identified in integrating 1G ethanol, 2G DMR processing of bagasse, and anaerobic co-digestion of 1G vinasse and 2G DMR alkaline liquor. This technology enables sugarcane biorefineries to enhance the co-production of ethanol, methane, and concentrated streams of CO 2 .

09 BIOMASS FUELS↗
DOE OSTI2022

Rewiring yeast metabolism for producing 2,3-butanediol and two downstream applications: Techno-economic analysis and life cycle assessment of methyl ethyl ketone (MEK) and agricultural biostimulant production

Rising concerns for sustainability and global climate change have driven the development of sustainable pro- duction pathways for biofuels and chemicals from lignocellulosic biomass via integrated biological and chemical processes. We constructed an engineered Saccharomyces cerevisiae capable of producing 2,3-butanediol (2,3-BDO) from glucose without accumulating ethanol and glycerol, which hinder downstream processing of 2,3-BDO, through extensive metabolic reprogramming. Specifically, we introduced heterologous 2,3-BDO biosynthetic enzymes and deleted the major isozymes of ethanol and glycerol biosynthetic enzymes. In addition, we introduced an NAD + regenerating Pyruvate-Malate (PM) cycle and enhanced the NAD + regenerating capability of the PM cycle to resolve the redox imbalance from the deletion of ethanol and glycerol production pathways. The resulting engineered yeast produced 109.9 g/L of 2,3-BDO with a productivity of 1.0 g/L/h and a yield of 0.36 g/ g glucose in a fed-batch fermentation. We also conducted techno-economic analysis (TEA) and life cycle assessment (LCA) of the production of methyl ethyl ketone (MEK) through catalytic dehydration of 2,3-BDO. A TEA based on the experimental results indicated that the minimum product selling price (MPSP) was estimated to be $1.90/kg. Regarding cradle-to-grave LCA, 100-year global warming potential (GWP100) and fossil energy consumption (FEC) were found to be 0.37 kg CO 2 eq/kg and 3.1 MJ/kg, respectively. These results demonstrated the feasibility of cost-competitive and sustainable bio-based MEK production via yeast fermentation. In addition, we explored the possibility of using the fermentation broth containing 2,3-BDO as a biostimulant inducing drought tolerance in plants. As a result, the yeast 2,3-BDO fermentation broth can induce drought tolerance in Arabidopsis thaliana without a complicated purification process.

2,3-butanediol (2,3-BDO)↗
DOE OSTI2024

A tailored deep eutectic solvent for high-yield conversion of poplar residues to bio-based building blocks at mild conditions

The generation of condensed compounds in a deep eutectic solvent (DES) pretreatment has become a paramount factor that inhibits the further conversion of pretreated cellulose-rich substrate. Here, this study proposed a novel three-constituent DES system for the value-added utilization of poplar residues by efficiently suppressing hemicellulose derived condensation reactions. The results showed that adding ethanol into the DES system could effectively deconstruct the recalcitrant structure of poplar residues, simultaneously hindering the condensed composition formation. Under optimum ethanol addition (30%), the maximum xylan and lignin removal of 87.94% and 90.99% could be achieved, with more than 90.47% of glucan being preserved. With this, the glucan enzymatic hydrolysis efficiency was remarkably improved to 100% under the pretreatment conditions of 100 °C for 60 min, which was 84.69 times higher than the regular DES-pretreated poplar residues (1.17%). The working mechanism of relieving condensation reactions was characterized by Py-GC–MS, NMR, SEM, FTIR, and others. The results demonstrated that the addition of ethanol could regulate the degradation/conversion pathway of hemicellulose and lignin precipitation, thus inhibit the formation of condensed compounds during the pretreatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗