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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

An experimental study on thermo-catalytic pyrolysis of plastic waste using a continuous pyrolyser

Highlights: • Thermo-catalytic pyrolysis of plastic waste in a bench scale continuous feed unit. • Utilizing RDC temperature profile to enhance oil product selectivity towards diesel. • Mesoporosity is a critical factor for coke deposition on catalyst. • Pelletised catalysts, not powder catalysts, provided higher selectivity towards diesel. - Abstract: A bench scale, two-stage, thermo-catalytic reactor equipped with a continuous feeding system was used to pyrolyse pure and waste plastics. Experiments using five zeolitic and clay-based catalysts of different forms (pellet and powders) and different plastic feedstocks – virgin HDPE, HDPE w1aste and mixed plastic waste (MPW) were compared to the control experiments – pyrolysis without catalyst. Results indicated that the two pelletized catalysts were the most promising for the conditions employed. Of these two, one with higher acidity and surface area was highly selective for the gasoline fraction (C{sub 5}–C{sub 11}) giving 80% from the total medium distillate conversion using virgin HDPE as feedstock. It also produced the least amount of olefins (17% for virgin HDPE, 4% for HDPE waste and 2% for MPW) and coke (<1% for virgin HDPE, 3% for HDPE waste and 5% for MPW), and the highest aromatics content (22% for virgin HDPE from un-distilled medium distillate, 5% for HDPE and 13% for MPW both from distilled medium distillate). The second pelletized catalyst exhibited high selectivity for the diesel fraction (C{sub 12}–C{sub 25}) giving 63% from the total medium distillate conversion using virgin HDPE as feedstock. The amount of coke deposited on the catalyst surface depended mainly on the mesopore volume, with less coke deposited as the mesopore volume increased. The variation in catalyst selectivity with acidity strength due to Lewis sites on the catalyst surface controls selectivity towards carbon chain length.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Fate of metals and emissions of organic pollutants from torrefaction of waste wood, MSW, and RDF

Highlights: •MSW, RDF and waste wood fuel blends were torrefied at 220 °C. •Chlorine is separated from metals catalytically active in PCDD/F formation. •Torrefaction of MSW and RDF reduces the risk for alkali-chloride corrosion in WtE. •Torrefaction of MSW generates less PCDD/F than RDF when combined with DC. -- Abstract: Torrefaction of municipal solid waste (MSW), refuse-derived fuel (RDF), and demolition and construction wood (DC) was performed at 220 °C and a residence time of 90 min in a bench-scale reactor. The levels of toxic polychlorinated dibenzo-p-dioxins (PCDD) and dibenzofurans (PCDF) contained in emission from the torrefaction process were evaluated. In addition, main ash-forming elements and trace metals in the raw feedstock and char were determined. The use of MSW in fuel blends with DC resulted in lower PCDD and PCDF emissions after torrefaction, compared with the RDF blends. The migration of chlorine from the feedstock to the gas phase reduces the chlorine content of the char which may reduce the risk of alkali chloride-corrosion in char combustion. However, trace metals catalytically active in the formation of PCDD and PCDF remain in the char, thereby may promote PCDD and PCDF formation during subsequent char combustion for energy recovery; this formation is less extensive than when the feedstock is used.

09 BIOMASS FUELS↗
DOE OSTI2017

Thermo-Catalytic Reforming of municipal solid waste

Highlights: • Successful Thermo-Catalytic Reforming of municipal solid waste into fuels. • Highly de-oxygenated bio-oil was produced using this process. • Bio-oil produced had a high-energy content and low total acid number. • 60% of the energy in the feedstock was transferred to the products. • Conversion of MSW using the TCR® offers many promising advantages. - Abstract: Municipal Solid Waste (MSW) refers to a heterogeneous mixture composed of plastics, paper, metal, food and other miscellaneous items. Local authorities commonly dispose of this waste by either landfill or incineration which are both unsustainable practices. Disposing of organic wastes via these routes is also becoming increasingly expensive due to rising landfill taxes and transport costs. The Thermo-Catalytic Reforming (TCR®) process, is a proposed valorisation route to transform organic wastes and residues, such as MSW, into sustainable energy vectors including (H{sub 2} rich synthesis gas, liquid bio-oil and solid char). The aim herein, was to investigate the conversion of the organic fraction of MSW into fuels and chemicals utilising the TCR technology in a 2 kg/h continuous pilot scale reactor. Findings show that MSW was successfully processed with the TCR after carrying out a feedstock pre-treatment step. Approximately, 25 wt.% of the feedstock was converted into phase separated liquids, composed of 19 wt.% aqueous phase and 6 wt.% organic phase bio-oil. The analysis of the bio-oil fraction revealed physical and chemical fuel properties, higher heating value (HHV) of 38 MJ/kg, oxygen content <7 wt.% and water content <4 wt.%. Due to the bio-oil’s chemical and physical properties, the bio-oil was found to be directly miscible with fossil diesel when blended at a volume ratio of 50:50. The mass balance closure was 44 wt.% synthesis gas, with a H{sub 2} content of 36 vol% and HHV of 17.23 MJ/Nm{sup 3}, and 31 wt.% char with a HHV of 17 MJ/kg. The production of high quantities of H{sub 2} gas and highly de-oxygenated organic liquids makes downstream hydrogen separation and subsequent hydro-deoxygenation of the produced bio-oil a promising upgrading step to achieve drop-in transportation fuels from MSW.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Growth-coupled bioconversion of levulinic acid to butanone

Common strategies for conversion of lignocellulosic biomass to chemical products center on deconstructing biomass polymers into fermentable sugars. Here, we demonstrate an alternative strategy, a growth-coupled, high-yield bioconversion, by feeding cells a non-sugar substrate, by-passing central metabolism, and linking a key metabolic step to generation of acetyl-CoA that is required for biomass and energy generation. Specifically, we converted levulinic acid (LA), an established degradation product of lignocellulosic biomass, to butanone (a.k.a. methyl-ethyl ketone - MEK), a widely used industrial solvent. Our strategy combines a catabolic pathway from Pseudomonas putida that enables conversion of LA to 3-ketovaleryl-CoA, a CoA transferase that generates 3-ketovalerate and acetyl-CoA, and a decarboxylase that generates 2-butanone. By removing the ability of E. coli to consume LA and supplying excess acetate as a carbon source, we built a strain of E. coli that could convert LA to butanone at high yields, but at the cost of significant acetate consumption. Using flux balance analysis as a guide, we built a strain of E. coli that linked acetate assimilation to production of butanone. This strain was capable of complete bioconversion of LA to butanone with a reduced acetate requirement and increased specific productivity. To demonstrate the bioconversion on real world feedstocks, we produced LA from furfuryl alcohol, a compound readily obtained from biomass. These LA feedstocks were found to contain inhibitors that prevented cell growth and bioconversion of LA to butanone. We used a combination of column chromatography and activated carbon to remove the toxic compounds from the feedstock, resulting in LA that could be completely converted to butanone. In conclusion, this work motivates continued collaboration between chemical and biological catalysis researchers to explore alternative conversion pathways and the technical hurdles that prevent their rapid deployment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Machine Learning Reduced Order Model for Cost and Emission Assessment of a Pyrolysis System

Biomass pyrolysis is a promising approach for producing economic and environmentally-friendly fuels and bioproducts. Biomass pyrolysis experiments show that feedstock properties have a significant impact on product yields and composition. Scientists are developing detailed chemical reaction mechanisms to capture the relationships between biomass composition and pyrolysis yields. These mechanisms can be computationally intensive. In this study, we investigate the use of a machine learning reduced order model (ROM) for assessing the costs and emissions of a pyrolysis biorefinery. Here, we developed a Kriging-based ROM to predict pyrolysis yields of 314 feedstock samples based on the results of a detailed chemical kinetic pyrolysis mechanism. The ROM is integrated into a chemical process model for calculating mass and energy yields in a commercial-scale (2000 tonne/day) biorefinery. The ROM estimated biofuel yields of 65 to 130 gallons per ton of dry biomass. This results in biofuel minimum fuel-selling prices of $2.62 to $5.43 per gallon and emissions of -13.62 to 145 kg of CO 2 per MJ. The ROM achieved an average mean square error of 1.8e-20 and a mean absolute error of 0.53%. These results suggest that ROMs can facilitate rapid feedstock screening for biorefinery systems.

09 BIOMASS FUELS↗
DOE OSTI2015

Bed Agglomeration During the Steam Gasification of a High Lignin Corn Stover Simultaneous Saccharification and Fermentation (SSF) Digester Residue

This research investigates the bed agglomeration phenomena during the steam gasification of a high lignin residue produced from the simultaneous saccharification and fermentation (SSF) of corn stover in a bubbling fluidized bed. The studies were conducted at 895°C using alumina as bed material. Biomass was fed at 1.5 kg/hr, while steam was fed to give a velocity equal to 2.5 times the minimum fluidization velocity, with a steam/carbon ratio of 0.9. The pelletized feedstock was co-fed with a cooling nitrogen stream to mitigate feed line plugging issues. Tar production was high at 50.3 g/Nm3, and the fraction of C10+ compounds was greater than that seen in the gasification of traditional lignocellulosic feedstocks. Carbon closures over 94 % were achieved for all experiments. Bed agglomeration was found to be problematic, indicated by pressure drop increases observed below the bed and upstream of the feed line. Two size categories of solids were recovered from the reactor, +60 mesh and -60 mesh. After a 2.75-hour experiment, 61.7 wt % was recovered as -60 mesh particles and 38.2 wt% of the recovered reactor solids were +60 mesh. A sizeable percentage, 31.8 wt%, was +20 mesh. The -60 mesh particles were mainly formed by the initial bed material (Al2O3). Almost 50 wt. % of the + 20 mesh particles was found to be formed by organics. The unreacted carbon remaining in the reactor resulted in a low conversion rate to product gas. ICP-AES, SEM, SEM-EDS, and XRD confirmed that the large agglomerates (+ 20 mesh) were not encapsulated bed material but rather un-gasified feedstock pellets with sand particles attached to it.

bioenergy↗
DOE OSTI2015

Predicting properties of gas and solid streams by intrinsic kinetics of fast pyrolysis of wood

Pyrolysis has the potential to create a biocrude oil from biomass sources that can be used as fuel or as feedstock for subsequent upgrading to hydrocarbon fuels or other chemicals. The product distribution/composition, however, is linked to the biomass source. This work investigates the products formed from pyrolysis of woody biomass with a previously developed chemical kinetics model. Different woody feedstocks reported in prior literature are placed on a common basis (moisture, ash, fixed carbon free) and normalized by initial elemental composition through ultimate analysis. Observed product distributions over the full devolatilization range are explored, reconstructed by the model, and verified with independent experimental data collected with a microwave-assisted pyrolysis system. These trends include production of permanent gas (CO, CO 2 ), char, and condensable (oil, water) species. Elementary compositions of these streams are also investigated. As a result, close agreement between literature data, model predictions, and independent experimental data indicate that the proposed model/method is able to predict the ideal distribution from fast pyrolysis given reaction temperature, residence time, and feedstock composition.

09 BIOMASS FUELS↗
DOE OSTI2017

Results of the International Energy Agency Round Robin on Fast Pyrolysis Bio-oil Production

An international round robin study of the production of fast pyrolysis bio-oil was undertaken. Fifteen institutions in six countries contributed. Three biomass samples were distributed to the laboratories for processing in fast pyrolysis reactors. Samples of the bio-oil produced were transported to a central analytical laboratory for analysis. The round robin was focused on validating the pyrolysis community understanding of production of fast pyrolysis bio-oil by providing a common feedstock for bio-oil preparation. The round robin included: •distribution of 3 feedstock samples from a common source to each participating laboratory; •preparation of fast pyrolysis bio-oil in each laboratory with the 3 feedstocks provided; •return of the 3 bio-oil products (minimum 500 ml) with operational description to a central analytical laboratory for bio-oil property determination. The analyses of interest were: density, viscosity, dissolved water, filterable solids, CHN, S, trace element analysis, ash, total acid number, pyrolytic lignin, and accelerated aging of bio-oil. In addition, an effort was made to compare the bio-oil components to the products of analytical pyrolysis through GC/MS analysis. The results showed that clear differences can occur in fast pyrolysis bio-oil properties by applying different reactor technologies or configurations. The comparison to analytical pyrolysis method suggested that Py-GC/MS could serve as a rapid screening method for bio-oil composition when produced in fluid-bed reactors. Furthermore, hot vapor filtration generally resulted in the most favorable bio-oil product, with respect to water, solids, viscosity, and total acid number. These results can be helpful in understanding the variation in bio-oil production methods and their effects on bio-oil product composition.

09 BIOMASS FUELS↗
DOE OSTI2017

Flash Pyrolysis of Oleaginous Biomass in a Fluidized-Bed Reactor

In this study, flash pyrolysis was performed using milled soybean as a model substrate to assess the production of liquid fuels from oleaginous biomass feedstocks. A laboratory-scale fluidized-bed flash pyrolysis reactor that allowed rapid heat transfer to the biomass along with short vapor residence time was designed and constructed. Pyrolysis was performed between 250 and 610 °C with a vapor residence time between 0.2 and 0.3 s. At 550 °C or higher, nearly 70% of the initial feed mass as well as feed carbon was recovered in bio-oil. In addition, 90% of the feedstock lipids were recovered in the bio-oil at these pyrolysis conditions. The high liquid products yields were attributed to (1) the low secondary degradation of bio-oils due to the short vapor residence time and (2) the high recovery of liquids in a novel dry ice packed-bed condenser that provided a high surface area for condensation/aggregation of dilute bio-oil vapors/aerosols that were entrained in the carrier gas. The bio-oil from this study had higher C and H content, higher calorific value, and lower oxygen and water content than bio-oil from wood. Finally, these results show that high-quality bio-oil at high yield can be obtained from flash pyrolysis of oleaginous feedstock.

09 BIOMASS FUELS↗
DOE OSTI2021

Biofuel Options for Marine Applications: Technoeconomic and Life-Cycle Analyses

This study performed technoeconomic and life-cycle analyses to assess the economic feasibility and emission benefits and tradeoffs of various biofuel production pathways as an alternative to conventional marine fuels. We analyzed production pathways for (1) Fischer-Tropsch diesel from biomass and cofeeding biomass with natural gas or coal, (2) renewable diesel via hydroprocessed esters and fatty acids from yellow grease and cofeeding yellow grease with heavy oil, and (3) bio-oil via fast pyrolysis of low-ash woody feedstock. We also developed a new version of the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) marine fuel module for the estimation of life-cycle greenhouse gas (GHG) and criteria air pollutant (CAP) emissions of conventional and biobased marine fuels. The alternative fuels considered have a minimum fuel selling price between 2.36 and 4.58 $/heavy fuel oil gallon equivalent (HFOGE), and all exhibit improved life-cycle GHG emissions compared to heavy fuel oil (HFO), with reductions ranging from 40 to 93%. The alternative fuels also exhibit reductions in sulfur oxides and particulate matter emissions. Additionally, when compared with marine gas oil and liquified natural gas, they perform favorably across most emission categories except for cases where carbon and sulfur emissions are increased by the cofed fossil feedstocks. The pyrolysis bio-oil offers the most promising marginal CO2 abatement cost at less than $100/tonne CO2e for HFO prices >$1.09/HFOGE followed by Fischer-Tropsch diesel from biomass and natural gas pathways, which fall below $100/tonne CO2e for HFO prices >$2.25/HFOGE. Pathways that cofeed fossil feedstocks with biomass do not perform as well for marginal CO2 abatement cost, particularly at low HFO prices. This study indicates that biofuels could be a cost-effective means of reducing GHG, sulfur oxide, and particulate matter emissions from the maritime shipping industry and that cofeeding biomass with natural gas could be a practical approach to smooth a transition to biofuels by reducing alternative fuel costs while still lowering GHG emissions, although marginal CO2 abatement costs are less favorable for the fossil cofeed pathways.

Greenhouse gas, life cycle assessment, techno-econ↗
DOE OSTI2026

Co-Location of Cellulosic Bioethanol and Alcohol-to-Jet (ATJ) Production Facilities for Targeted Scale-Up of Sustainable Aviation Fuel (SAF) Production

Achieving aerospace industry net-zero emissions by 2050 requires rapid scaling of sustainable aviation fuel (SAF) production. Leveraging existing infrastructure, proven technologies like Alcohol-to-Jet (ATJ), and low carbon intensity (CI) feedstocks (e.g., switchgrass and miscanthus) can support this transition and help achieve near-term emissions reduction targets. This study evaluates the implications of lignocellulosic ethanol biorefinery siting and integration with petroleum refineries to produce SAF across 1000 sites randomly sampled from areas suitable for perennial grasses in the U.S. rainfed region. To better understand the logistics of material transport and handoffs, we integrated models of biomass harvest, transport, ethanol, and ATJ production in a stochastic framework based on Monte Carlo simulations to characterize SAF minimum selling price (MSP) and carbon intensity (CI), considering site-specific parameters (e.g., feedstock production, transportation, taxes, incentives). The results indicate trade-offs between MSP and CI across locations, with median MSP ranging from 7.9 to 12.8 USD·gal −1 and CI from −9.7 to 39.4 gCO 2 e·MJ −1 . Despite high estimated decarbonization costs (580 USD·tonCO 2 e −1 ), our results indicate that site-specific deployment of ATJ with low-CI feedstocks can improve sustainability outcomes. The framework provides a systematic approach to assess cost and sustainability trade-offs across locations, considering the end-to-end supply chain and supporting an informed investment in SAF production.

09 BIOMASS FUELS↗
DOE OSTI2025

Hydrogen Production from Polyethylene Pyrolysis

Hydrogen is anticipated to play a pivotal role in the future of clean energy and decarbonization efforts, serving as an energy storage medium, a power generation source, and a clean fuel for transportation. While most hydrogen is produced from carbonaceous fossil feedstocks like natural gas, petroleum, and coal, there is growing interest in using refuse-derived fuels such as waste plastics and municipal solid waste (MSW) as alternative feedstocks. Thermochemical processes such as pyrolysis and catalytic cracking can convert nonrecyclable plastics and organic MSW components to produce hydrogen with lower life cycle greenhouse gas emissions when coupled with CO 2 capture. Such approaches not only address waste-management challenges but also reduce methane emissions from landfills. Furthermore, waste feedstocks are low cost and can support meeting demands for hydrogen across various industries. In this work we examined production of hydrogen from high-density polyethylene (HDPE) as a model polymer using pyrolysis. Analytical studies of pyrolysis utilizing gas chromatography–mass spectrometry (GC/MS) provide insights into conversion pathways for plastic waste, potentially reducing the environmental footprint of traditional hydrogen production methods. This work generates a baseline methodology for hydrogen production from plastic pyrolysis with and without a catalyst and the necessary product distribution baseline from key single plastics. The effect of pyrolysis temperature on the conversion of HDPE was evaluated both with and without a catalyst(s), and the product distributions measured via GC/MS were identified and hydrogen formation was quantified. These results will help guide future research efforts to optimize catalysts and processes for more efficient hydrogen production and mixed plastic waste management.

Catalysts↗
DOE OSTI2021

Assessment of Plant and Microalgal Oil-Derived Nonisocyanate Polyurethane Products for Potential Commercialization

Green pathways for nonisocyanate polyurethane (NIPU) production have attracted increasing levels of interest. The reaction between 5-membered cyclic carbonate and polyamines is one of the most promising pathways to produce NIPU polymers. Though promising, major technical hurdles such as slow polymerization rate and poor performance hinder the commercialization of NIPU. In this paper, we screened several commercially available triglyceride oil feedstocks for NIPU products, focusing on polymerization kinetics and product performance for industrial application. The impact of carbonated group density on polymerization rate and mechanical strength was determined. We have demonstrated a remarkably higher reactivity of carbonated oil derived from feedstocks with polyunsaturated fatty acid (PUFA). The NIPU derived from such feedstocks also showed improved performance for industrial application. Unlike traditional polyurethane foam production that uses isocyanate and water to generate CO2 as a blowing reagent, there is no gas formation in NIPU polymerization. We have demonstrated a practical and cost-effective approach to produce NIPU foam material using bicarbonate as a blowing reagent. Furthermore, we conducted the first-ever technoeconomic analysis (TEA), revealing that profitable commercial NIPU production can be achieved when operating at sufficient production capacities.

09 BIOMASS FUELS↗
DOE OSTI2025

Conversion of Compositionally Diverse Plastic Waste over Earth-Abundant Sulfides

Chemical deconstruction of polyolefin plastic wastes via hydroconversion is promising for mitigating plastic accumulation in landfills and the environment. However, hydroconversion catalysts cannot handle complex feedstocks containing multiple polymers, additives, and heteroatom impurities. Here, we report a single-step strategy using earth-abundant metal sulfide catalysts to deconstruct these wastes. We show that NiMoS x /HY catalysts deconstruct polyolefin feedstocks, achieving ~81–94% selectivity to liquid products. Postsynthetic zeolite modification enhances the catalyst’s activity by >2.5 times, achieving over 95% selectivity to liquid fuels with controllable product distribution in the naphtha, jet fuel, and diesel range. The catalyst is resilient to increasingly complex feedstocks, such as additive-containing polymers and mixed plastics composed of polyolefins and heteroatom-containing polymers, including poly(vinyl chloride). As a result, we extend the strategy to single-use polyolefin wastes that can generate toxic byproducts, such as HCl and NH 3 , and eliminate their emissions by integrating reaction and sorption in a one-step process.

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

Parameterizing Perennial Bioenergy Crops in Version 5 of the Community Land Model Based on Site‐Level Observations in the Central Midwestern United States

Abstract With projected expansion of biofuel production at a global scale, there is a pressing need to develop adequate representation of bioenergy crops in land surface models to help effectively quantify the biogeophysical and biogeochemical effects of its associated land use changes. This study implements two new perennial bioenergy crops, Miscanthus and switchgrass, into the Community Land Model Version 5 based on site‐level observations from the midwestern United States by modifying parameters associated with photosynthesis, phenology, allocation, decomposition, and carbon cost of nitrogen uptake and integrating concomitantly land management practices. Sensitivity analyses indicate that carbon and energy fluxes of the perennial crops are most sensitive to photosynthesis and phenology parameters. Validation of simulated fluxes against site‐level measurements demonstrates that the model is capable of capturing the overall patterns of energy and carbon fluxes, as well as physiological transitions from leaf emergence to senescence. Compared to annual crops, perennial crops feature longer growing season, greater leaf areas, and higher productivity, leading to increased transpiration, lower annual runoff, and larger carbon uptake. The model simulations suggest that with higher CO 2 assimilation rates and lower demands for nutrients and water, high‐yielding perennial crops are promising alternatives of bioenergy feedstocks compared to traditional annual crops not only for mitigating climate change but also for environmental conservation purposes by reducing fertilizer application and therefore alleviating surface‐ and ground‐water contaminations. Although the local‐scale simulations shed light on potential benefits of using perennial grasses as bioenergy feedstocks, quantifying consequences of their plantations at larger scales warrants additional investigation.

Cheng, Yanyan↗
DOE OSTI2024

Reparameterizing Litter Decomposition Using a Simplified Monte Carlo Method Improves Litter Decay Simulated by a Microbial Model and Alters Bioenergy Soil Carbon Estimates

Litter decomposition determines soil organic matter (SOM) formation and plant-available nutrient cycles. Therefore, accurate model representation of litter decomposition is critical to improving soil carbon (C) projections of bioenergy feedstocks. Soil C models that simulate microbial physiology (i.e., microbial models) are new to bioenergy agriculture, and their parameterization is often based on small datasets or manual calibration to reach benchmarks. Here, we reparameterized litter decomposition in a microbial soil C model (CORPSE - Carbon, Organisms, Rhizosphere, and Protection in the Soil Environment) using the continental-scale Long-term Inter-site Decomposition Experiment Team (LIDET) dataset which documents decomposition across a range of litter qualities over a decade. Here, we conducted a simplified Monte Carlo simulation that constrained parameter values to reduce computational costs. The LIDET-derived parameters improved modeled C and nitrogen (N) remaining, decomposition rates, and litter mean residence times as compared to Baseline parameters. We applied the LIDET litter decomposition parameters to a microbial bioenergy model (Fixation and Uptake of Nitrogen – Bioenergy Carbon, Rhizosphere, Organisms, and Protection) to examine soil C estimates generated by Baseline and LIDET parameters. LIDET parameters increased estimated soil C in bioenergy feedstocks, with even greater increases under elevated plant inputs (i.e., by increasing residue, N fertilization). This was due to the integrated effects of plant litter quantity, quality, and agricultural practices (tillage, fertilization). Collectively, we developed a simple framework for using large-scale datasets to inform the parameterization of microbial models that impacts projections of soil C for bioenergy feedstocks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Nitrene generation and transfer for unnatural biosynthesis in living cells

Abstract Synthetic biology has enabled the production of natural and unnatural products from inexpensive sustainable feedstocks. Yet, the scope of available products has been limited largely to compounds accessible from nature’s chemical reactions. Evolved enzymes can catalyse reactions of unnatural substrates or reactions not found in nature but often require the addition of synthetic reagents to purified enzymes or to resting cells containing those enzymes. Here we show that chemical reactions of metabolic intermediates produced intracellularly in living cells can include intermolecular nitrene transfers. The biosynthesis of N -acetoxyanilines, in combination with the generation and transfer of N -aryl nitrene intermediates from them catalysed by a cytochrome P450, generates amino alcohols, diamines, diarylamines and aminoalkyl arenes from simple carbon feedstocks. These products—common substructures of pharmaceuticals and agrochemicals—are challenging to synthesize by standard organic chemistry and were produced from inexpensive, renewable feedstocks. Evolution of the enzymes in this pathway showed that titres can be increased by engineering and that the products can be synthesized with high enantioselectivity.

Donnell, Isaac↗
DOE OSTI2023

4D structural changes and pore network model of biomass during pyrolysis

Biochar is an engineered carbon-rich substance used for soil improvement, environmental management, and other diverse applications. To date, the understanding of how biomass affects biochar microstructure has been limited due to the complexity of analysis involved in tracing the changes in the physical structure of biomass as it undergoes thermochemical conversion. In this study, we used synchrotron x-ray micro-tomography to visualize changes in the internal structure of biochar from diverse feedstock (miscanthus straw pellets, wheat straw pellets, oilseed rape straw pellets, and rice husk) during pyrolysis by collecting a sequence of 3D scans at 50 °C intervals during progressive heating from 50 °C to 800 °C. The results show a strong dependence of biochar porosity on feedstock as well as pyrolysis temperature, with observed porosity in the range of 7.41–60.56%. Our results show that the porosity, total surface area, pore volume, and equivalent diameter of the largest pore increases with increasing pyrolysis temperature up to about 550 °C. The most dramatic development of pore structure occurred in the temperature range of 350–450 °C. This understanding is pivotal for optimizing biochar’s properties for specific applications in soil improvement, environmental management, and beyond. By elucidating the nuanced variations in biochar’s physical characteristics across different production temperatures and feedstocks, this research advances the practical application of biochar, offering significant benefits in agricultural, environmental, and engineering contexts.

54 ENVIRONMENTAL SCIENCES↗