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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Influence of voids on the thermal and light stability of perovskite solar cells

The formation of voids in perovskite films close to the buried interface has been reported during film deposition. These voids are thought to limits the efficiency and stability of perovskite solar cells (PSCs). Here, we studied the voids formed during operation in perovskite films that were optimized during the solution deposition process to avoid voids. New voids formed during operation are found to assemble along grain boundaries at the bottom interface, caused by the loss of residual solvent and conversion of amorphous phase to crystalline phase. Unexpectedly, the formation of these voids did not negatively affect the stability of PSCs. Decreasing the amorphous region in perovskites by thermal annealing decreased the positive iodide interstitial density, and improved the light stability of PSCs. The annealed devices maintained 90% of their initial efficiency and light soaking for 1900 hours at open circuit condition under 1-sun illumination at 50°C.

14 SOLAR ENERGY↗
DOE OSTI2026

The Influence of Residual Copper Catalyst on the Polymer-to-Ceramic Conversion of a Click-Derived Polycarbosilane

Preceramic polymers (PCPs) are a key class of materials for the preparation of advanced ceramic components. Following conventional polymer processing and subsequent pyrolysis, polymer-derived ceramic (PDC) fibers, monoliths, and composites offer novel engineering opportunities for aerospace applications. Despite the rapidly emerging commercial applications of PDCs, many basic scientific questions remain regarding the structural transformation of the polymer to the final ceramic and how processing variables affect PDC materials properties. PCPs prepared using a mild and scalable copper (Cu) catalyzed azide/alkyne “click” reaction have been demonstrated as a unique class of material that can bind with transition metals, ultimately producing ultrahigh temperature ceramics (UHTCs) upon pyrolysis. Unexpectedly, it was found that the removal of residual Cu catalyst from a model click-derived polycarbosilane PCP significantly reduced the ceramic yield during pyrolysis. Herein, we report the influence of Cu impurities on polycarbosilane-derived SiC ceramics and present a mechanistic understanding of the unintended role of Cu in the polymer-to-ceramic conversion process. Synchrotron-based scattering and spectroscopy methods were implemented to track the evolution of different atomic species and local structures as well as the influence of Cu toward atomic-scale structures in the final ceramics. It was determined that Cu impurities catalyze the formation of silicon carbide through the formation of an intermediate molten copper/copper silicide, ultimately increasing the ceramic yield. Overall, this contribution highlights the need to carefully assess the interplay between the chemistries needed for PCP synthesis and their potential influence on final PDCs following processing.

Ponder, Jr., James F. [Air Force Research Laborato↗
DOE OSTI2023

Sandwich gasification process for high-efficiency conversion of carbonaceous fuels to clean syngas with zero residual carbon discharge

gasifier and a gasification process provides a long, uniform temperature zone in the gasifier, regardless of the particle size, chemical composition, and moisture content of the fuel by sandwiching a reduction zones between two oxidation zones. The gasifier and gasification process produces a char that is more energy-dense and almost devoid of moisture, affording an additional (char) oxidation zone with a temperature that is higher than a first oxidation zone which is closer to an evaporation and devolatilization zone. As such, the additional (char) oxidation zone contributes to augmenting the reduction zone temperature, providing a favorable dual impact in improving syngas composition and near-complete conversion of the tar.

Patel, Nikhil Manubhai↗
DOE OSTI2020

Sandwich gasification process for high-efficiency conversion of carbonaceous fuels to clean syngas with zero residual carbon discharge

The present invention discloses a gasifier and/or a gasification process that provides a long, uniform temperature zone in the gasifier, regardless of the particle size, chemical composition, and moisture content of the fuel by sandwiching a reduction zones between two oxidation zones. The gasifier and/or gasification process has a char that is more energy-dense and almost devoid of moisture that affords for an additional (or char) oxidation zone with a temperature that is higher than a first oxidation zone which is closer to a evaporation and devolatilization zone. As such, the additional (or char) oxidation zone contributes to augmenting the reduction zone temperature, thereby providing a favorable dual impact in improving syngas composition and near-complete conversion of the tar.

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

Sandwich gasification process for high-efficiency conversion of carbonaceous fuels to clean syngas with zero residual carbon discharge

The present invention discloses a gasifier and/or a gasification process that provides a long, uniform temperature zone in the gasifier, regardless of the particle size, chemical composition, and moisture content of the fuel by sandwiching a reduction zones between two oxidation zones. The gasifier and/or gasification process has a char that is more energy-dense and almost devoid of moisture that affords for an additional (or char) oxidation zone with a temperature that is higher than a first oxidation zone which is closer to an evaporation and devolatilization zone. As such, the additional (or char) oxidation zone contributes to augmenting the reduction zone temperature, thereby providing a favorable dual impact in improving syngas composition and near-complete conversion of the tar.

Patel, Nikhil Manubhai↗
DOE OSTI2022

Metagenomes and Metagenome-Assembled Genomes from Microbial Communities Fermenting Ultrafiltered Milk Permeate

Fermentative microbial communities can be utilized for the conversion of various agroindustrial residues into valuable chemicals. Here, we report 34 metagenomes from anaerobic bioreactors fed lactose-rich ultrafiltered milk permeate and 278 metagenome-assembled genomes (MAGs). These MAGs can inform future studies aimed at generating renewable chemicals from dairy and other agroindustrial residues.

Walters, Kevin A.↗
DOE OSTI2023

Failure Mode and Effects Analysis Summary Report

This report provides an overview of the development of failure modes and effects analysis (FMEA) and its implementation as a systematic criticality and risk assessment tool supporting a quality by design (QbD) approach for FCIC research. This report also provides a high-level overview of the results for the FMEA evaluation of two feedstock preprocessing system configurations: (1) generation of pine residue materials for high-temperature pyrolysis conversion and (2) generation of corn stover materials for low-temperature conversion using deacetylation and disc mechanical refining pretreatment for fermentation to hydrocarbons. For the results presented in this report, our FMEA interviews included two approaches. The first approach was to perform FMEA interviews for the entire system of unit operations giving a wholistic system level view. The second approach consisted of detailed interviews for each individual unit operation within the system allowing for a “deep dive” into the specific failures for the individual components within the configuration. These two approaches provide different resolutions of information. The FMEA results of this report were focused on failures associated with meeting critical quality attributes (CQAs) identified for the target conversion processes for each processed feedstock type. The information gathered through the FMEA interviews include estimations of risk scores for meeting each given CQA specification, identification of the impacts for not meeting a CQA specification, capturing causes associated with material attributes and process parameters for each failure, identification of current detection methods, and speculation of potential mitigation strategies for decreasing a failure’s risk score. The complete results of all FMEA interviews are provided in the Appendices of this report.

conversion↗
DOE OSTI2023

Design of an Integrated Solids Handling System to Maximize Syngas Process Reliability (Cooperative Research and Development Final Report)

The National Renewable Energy Laboratory (NREL), in partnership with Wonderful Renewable Energy (WRE) and Idaho National Laboratory (INL), plans to develop a general methodology for designing integrated biorefinery solids preprocessing, handling, and feeding systems based on the chemical, physical, and mechanical attributes of the starting biomass material. This attribute-driven approach will include detailed feedstock property measurements, iterative computational modeling, and bench-scale testing to design systems for preprocessing, handling, and reactor in-feed, up to and including the selection of the conversion reactor. The initial tests and system design will be conducted using waste material from almond and pistachio growing and production operations (shells, hulls, and wood), targeting the conversion of this material to syngas for electricity production. The methodology will then be generalized to other feedstocks. The purpose of this project is to design an integrated solids handling system to maximize the process reliability of converting almond and pistachio waste to electricity. The design methodology and workflow developed from this example will then be applied to the Feedstock Conversion Interface Consortium (FCIC) benchmark loblolly pine residues, thus demonstrating the robustness of the overall design approach and providing insight and guidance for future conversion systems. V-Grid Energy Systems was brought on as a subcontractor to provide gasifiers and labor to complete gasifier runs.

09 BIOMASS FUELS↗
DOE OSTI2022

A New Method to Overcome Carboxyamide Formation During AFEX Pretreatment of Lignocellulosic Biomass

Lignin-carbohydrate complexes (LCCs) in the plant cell wall are responsible for providing resistance against biomass-degrading enzymes produced by microorganisms. Four major types of lignin-carbohydrate bonds are reported in the literature, namely, benzyl ethers, benzyl esters, phenyl glycosides, and acetyl ester linkages. Ester’s linkages in the plant cell wall are labile to alkaline pretreatments, such as ammonia fiber expansion (AFEX), which uses liquid or gaseous ammonia to cleave those linkages in the plant cell wall and reduce biomass recalcitrance. Two competing reactions, notably hydrolysis and ammonolysis, take place during AFEX pretreatment process, producing different aliphatic and aromatic acids, as well as their amide counterparts. AFEX pretreated grasses and agricultural residues are known to increase conversion of biomass to sugars by four- to five-fold when subjected to commercial enzyme hydrolysis, yielding a sustainable feedstock for producing biofuels, biomaterials, and animal feed. Animal feed trials on dairy cows have demonstrated a 27% increase in milk production when compared to a control feedstock. However, the presence of carboxamides in feedstocks could promote neurotoxicity in animals if consumed beyond a certain concentration. Thus, there is the need to overcome regulatory hurdles associated with commercializing AFEX pretreated biomass as animal feed in the United States. This manuscript demonstrates a modified pretreatment for increasing the digestibility of industrial byproducts such as Brewer’s spent grains (BSG) and high-fiber meal (HFM) produced from BSG and dry distillers grains with soluble (DDGS), while avoiding the production of carboxamides. The three industrial byproducts were first treated with calculated amounts of alkali such as NaOH, Ca(OH) 2 , or KOH followed by AFEX pretreatment. We found that 4% alkali was able to de-esterify BSG and DDGS more efficiently than using 2% alkali at both 10 and 20% solids loading. AFEX pretreatment of de-esterified BSG, HFM, and DDGS produced twofold higher glucan conversion than respective untreated biomass. This new discovery can help overcome potential regulatory issues associated with the presence of carboxamides in ammonia-pretreated animal feeds and is expected to benefit several farmers around the world.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Recycling of Printed Circuit Boards to Recover Critical Materials

The printed circuit board (PCB), a central component of most electronic devices, represents a significant fraction of the electronic product waste stream. The complex composition of PCBs, consisting of metals, polymers, and fiberglass, requires specialized recovery steps to reclaim valuable and critical materials and the safe disposal of brominated compounds. In this review paper, we describe the current state of critical material recovery and traditional recycling technologies and identify key obstacles to large-scale implementation. Metals present at high concentrations, such as copper, lead, and iron, are conventionally recovered from PCBs using hydrometallurgical, pyrometallurgical, or electrometallurgical processes. Hydrometallurgical methods achieve high selectivity through chemical leaching but pose significant challenges for effluent and reagent recovery. Pyrometallurgical methods facilitate rapid metal separation through smelting but require substantial energy and may release harmful gases. Electrometallurgical techniques produce high-purity metals but are constrained by pretreatment requirements and the consumption of energy. The non-metallic fraction of PCB waste is recycled using thermochemical conversion, microwave-aided heating, and direct recycling of epoxy–fiberglass composites, enabling material or energy recovery. The recovered polymer from direct recycling may have reduced mechanical strength and poor compatibility with new polymer matrices, and the resulting products from the thermal conversion suffer from incomplete conversion, degradation of quality, and residual contamination, as compared to synthetic polymers. Recent process developments have focused on extracting rare earth and supply-critical materials present at lower concentrations in the waste stream. The literature on existing and emerging approaches for recycling PCB wastes is reviewed to identify sustainable, economically viable, and environmentally responsible strategies for the recovery and reuse of critical materials from waste streams.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Age at release affects developmental physiology and sex-specific phenotypic diversity of hatchery steelhead trout (Oncorhynchus mykiss)

Most steelhead trout hatcheries increase growth rate during rearing to produce and release yearling smolts for harvest augmentation, but natural steelhead exhibit variable age of smoltification, so this common rearing practice may not be ideal for programs focused on recovering imperiled wild stocks; therefore, it is important to investigate and compare alternative hatchery rearing methods that promote life history diversity. Over six consecutive years, the Winthrop National Fish Hatchery on the Methow River, WA reared and released paired groups of age-1 (S1) and age-2 (S2) steelhead smolts. To understand how the two rearing methods affected developmental ontogeny and life-history, fish were sampled prior to hatchery release for factors associated with smoltification (size, gill Na+/K+ ATPase activity, and a qualitative smolt phenotype) and sexual maturation (sex, pituitary and testis mRNA transcripts, gonadosomatic index, and plasma 11-ketotestosterone). Our objectives were to quantify levels of smoltification and male maturation during hatchery rearing, combine metrics to estimate residualism (failure to migrate upon release), and compare the treatments by sex. Overall, S2 rearing produced 7.8% more smolts and 44-fold (4.4 vs. 0.1%) more precociously mature males than S1 rearing. Conversely, S1 rearing produced 31.6% more residuals than S2 rearing. While the proportion of total male residuals was comparable between treatments, the S1 treatment produced approximately five-fold more female residuals (20.6 vs. 4.2%). Because residuals contribute minimally to adult returns and the number of returning adult females is critical to the success of salmonid supplementation efforts, developing rearing techniques that maximize migration in females is a management priority. Physiological assessments are useful for characterizing and quantifying the effects and risks of different hatchery rearing regimes on steelhead life-history, in addition to providing sex-specific guidance to inform and optimize conservation management goals in supplementation programs.

Middleton, Mollie A. (ORCID:0009000905577865)↗
DOE OSTI2020

Pilot Plant Reliability Metrics for Grinding and Fast Pyrolysis of Woody Residues

The reliability of biomass size reduction, feeding, and conversion processes remains a critical technical hurdle and important cost driver for biomass conversion systems. While Biorefinery projects have typically focused on scaling up conversion technologies that maximize yield of desired products, e.g. fuels and chemicals, solids handling and reactor feeding systems are often considered secondarily. These are frequently scaled down or adapted from other industries, without a full appreciation of how biomass heterogeneity and variability impact process reliability. Here we present the effects of feedstock variability on relative throughput, mass loss, plant uptime, operator intervention, product yield, and product quality for grinding and fast pyrolysis operations at the pilot scale. Loblolly pine residues were sourced and collected using commercial harvesting techniques. Grinding and pyrolysis experiments were performed at INL's Biomass Feedstock National User Facility and NREL's Thermal and Catalytic Process Development Unit, respectively. Preprocessing throughput using a hammer mill varied between 31-48% of nameplate capacity (5 tons/hr), and fast pyrolysis throughput varied between 57-72% of nameplate capacity (20 kg/hr) for an overall system throughput of 18-35% of nameplate capacity across biomass preprocessing and conversion to pyrolysis oil. Pyrolysis oil yields varied between 46-53% (feedstock carbon to oil, dry basis). Grinder overloads in the size reduction step were more prevalent for lower ash and higher moisture materials. During fast pyrolysis operations, downtime was caused by bridging in the feed and char removal systems and plugging in the condensation system, and significant variation in the type and frequency of operator intervention was observed between feedstocks. Cohesion of solids (feedstock and char) leading to system plugging appeared less problematic for higher ash feedstocks, and differences in condenser plugging behavior between high and low ash feedstocks indicates the composition and physical nature of the deposited material is important for process reliability and is feedstock dependent.

09 BIOMASS FUELS↗
DOE OSTI2022

Coupling AFEX and steam-exploded sugarcane residue pellets with a room temperature CIIII-activation step lowered enzyme dosage requirements for sugar conversion

In this study, the potential integration of steam explosion (StEx) and ammonia fiber expansion (AFEX) with existing sugar/ethanol mills to form decentralized pre-processing depots was explored. Both StEx and AFEX pretreatment facilitated the production of sugarcane bagasse (SCB) and cane leaf matter (CLM) pellets with significantly higher bulk density, mechanical durability, and hydrophobicity relative to their untreated biomass pellet controls. However, ethanol production from standalone StEx and AFEX-treated SCB and CLM pellets required enzyme dosages greater than 21 mg/g glucan to achieve enzymatic hydrolysis sugar yields of 75% and ethanol titres greater than 40 g.L -1 . Coupling AFEX-treated SCB or CLM pellets with a room temperature CIII I -activation step using liquid ammonia lowered enzyme dosage requirements by more than 50% without affecting ethanol titers and production yields (greater than300 L per Mg residual dry matter raw dry biomass (RDM)). In contrast, treating StEx-treated pellets with CIIII-activation using liquid ammonia did not result in similar enzyme dosage reductions, due to pseudo-lignin formation, leading to enzyme deactivation and/or lignin blockage that retarded enzymatic hydrolysis at low enzyme dosages. A gross energy conversion assessment revealed that low enzyme dosage (3-4 mg enzyme/g RDM) ethanol and electricity co-production from AFEX and CIII I -activated SCB and CLM can recover up to 73% of the energy in the untreated biomass, compared to 54% recovered by StEx and CIII I -activation. The results from this work suggest that StEx or AFEX based pre-processing depots can produce dense and mechanically durable biomass pellets. The AFEX-treated pellets can be easily upgraded using a room temperature CIII I -activation step at the biorefinery to significantly reduce bioconversion enzymes.

42 ENGINEERING↗
DOE OSTI2023

Structural and Mechanistic Basis for the Inactivation of Human Ornithine Aminotransferase by (3 S ,4 S )-3-Amino-4-fluorocyclopentenecarboxylic Acid

Ornithine aminotransferase (OAT) is overexpressed in hepatocellular carcinoma (HCC), and we previously showed that inactivation of OAT inhibits the growth of HCC. Recently, we found that (3S,4S)-3-amino-4-fluorocyclopentenecarboxylic acid (5) was a potent inactivator of γ-aminobutyric acid aminotransferase (GABA-AT), proceeding by an enamine mechanism. Here we describe our investigations into the activity and mechanism of 5 as an inactivator of human OAT. We have found that 5 exhibits 10-fold less inactivation efficiency (k inact /K I ) against hOAT than GABA-AT. A comprehensive mechanistic study was carried out to understand its inactivation mechanism with hOAT. pK a and electrostatic potential calculations were performed to further support the notion that the α,β-unsaturated alkene of 5 is critical for enhancing acidity and nucleophilicity of the corresponding intermediates and ultimately responsible for the improved inactivation efficiency of 5 over the corresponding saturated analogue (4). Intact protein mass spectrometry and the crystal structure complex with hOAT provide evidence to conclude that 5 mainly inactivates hOAT through noncovalent interactions, and that, unlike with GABA-AT, covalent binding with hOAT is a minor component of the total inhibition which is unique relative to other monofluoro-substituted derivatives. Furthermore, based on the results of transient-state measurements and free energy calculations, it is suggested that the α,β-unsaturated carboxylate group of PLP-bound 5 may be directly involved in the inactivation cascade by forming an enolate intermediate. Overall, compound 5 exhibits unusual structural conversions which are catalyzed by specific residues within hOAT, ultimately leading to an enamine mechanism-based inactivation of hOAT through noncovalent interactions and covalent modification.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Feedstock-Conversion Interface Consortium: Failure Mode and Effects Analysis Summary Report (FY2022)

This report provides an overview of the development of failure modes and effects analysis (FMEA) and its implementation as a systematic criticality and risk assessment tool supporting a quality by design (QbD) approach for FCIC research. This report also provides a high-level overview of the results for the FMEA evaluation of two feedstock preprocessing system configurations: (1) generation of pine residue materials for high-temperature pyrolysis conversion and (2) generation of corn stover materials for low-temperature conversion using deacetylation and disc mechanical refining pretreatment for fermentation to hydrocarbons. For the results presented in this report, our FMEA interviews included two approaches. The first approach was to perform FMEA interviews for the entire system of unit operations giving a wholistic system level view. The second approach consisted of detailed interviews for each individual unit operation within the system allowing for a “deep dive” into the specific failures for the individual components within the configuration. These two approaches provide different resolutions of information. The FMEA results of this report were focused on failures associated with meeting critical quality attributes (CQAs) identified for the target conversion processes for each processed feedstock type. The information gathered through the FMEA interviews include estimations of risk scores for meeting each given CQA specification, identification of the impacts for not meeting a CQA specification, capturing causes associated with material attributes and process parameters for each failure, identification of current detection methods, and speculation of potential mitigation strategies for decreasing a failure’s risk score. The complete results of all FMEA interviews are provided in the Appendices of this report.

09 BIOMASS FUELS↗
DOE OSTI2024

Analyzing Potential Failures and Effects in a Pilot-Scale Biomass Preprocessing Facility for Improved Reliability

This study demonstrates a failure identification methodology applied to a preprocessing facility generating conversion-ready feedstocks from biomass meeting conversion process critical quality attribute (CQA) specifications. Failure Modes and Effects Analysis (FMEA) was used as an industrially relevant risk analysis approach to evaluate a logging residue preprocessing system to prepare feedstock for pyrolysis conversion. Risk evaluations considered both system-level and operation unit-level assessments considering process efficiency, product quality, cost, sustainability, and safety. Key outputs included estimations of semi-quantitative risk scores for each failure, identification of the failure impacts, identification of failure causes associated with material attributes and process parameters, ranking success rates of failure detection methods, and speculation of potential mitigation strategies for decreasing failure risk scores. Results showed that deviations from moisture specifications had cascading consequences for other CQAs along with process safety implications. Failures linked to fixed carbon specifications carried the highest risk scores for product quality and process efficiency impacts. As increased throughput can be inversely related to meeting product quality specifications; achieving throughput and other material-based CQAs simultaneously will likely require system optimization or prioritization based on system economics. Ultimately, this work successfully demonstrates FMEA as a risk analysis approach for other bioenergy process systems.

09 BIOMASS FUELS↗
DOE OSTI2024

Potential Integration Between Residual Biogenic Process Resources and Greener Hydrogen Production from Steam Reformers

Biomass conversion processes have varying efficiencies towards specific products like liquid fuels; process inefficiencies result in byproducts such as off-gases, heat, and solid residues such as char. The efficient use of these byproducts is key towards getting the maximum sustainability benefits from valuable biomass resources. For example, there are various utility product options that can utilize heat and off-gases from biomass pyrolysis processes; they include process heat and steam, hydrogen, fuel gas, and electricity. Further, there is potential for the use of the off-gases to supplement natural gas feed into steam reformers for hydrogen production. This presentation highlights results from previous analyses on tradeoffs based on utility byproduct choices (https://doi.org/10.1039/D3SE00745F); maximizing hydrogen production from off-gases is one potential winning strategy. This leads to the question regarding the utilization of these off-gases in existing steam reformers and the process impacts from feeding off-gases. Process modeling of a steam reformer system (https://doi.org/10.1002/adsu.20230021) quantifies those impacts and shows how much off-gas substitution is possible within the limits of an existing design with such an integration strategy.

biogenic gases↗