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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Local Structure Analysis and Modelling of Lignin‐Based Carbon Composites through the Hierarchical Decomposition of the Radial Distribution Function

Abstract Carbonized lignin has been proposed as a sustainable and domestic source of activated, amorphous, graphitic, and nanostructured carbon for many industrial applications as the structure can be tuned through processing conditions. However, the inherent variability of lignin and its complex physicochemical structure resulting from feedstock and pulping selection make the Process‐Structure‐Property‐Performance (PSPP) relationships hard to define. In this work, radial distribution functions (RDFs) from synchrotron X‐ray and neutron scattering of lignin‐based carbon composites (LBCCs) are investigated using the Hierarchical Decomposition of the Radial Distribution Function (HDRDF) modelling method to characterize the local atomic environment and develop quantitative PSPP relationships. PSPP relationships for LBCCs defined by this work include crystallite size dependence on lignin feedstock as well as increasing crystalline volume fraction, nanoscale composite density, and crystallite size with increasing reduction temperature.

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

Switchgrass ( Panicum Virgatum ) and Miscanthus ( Miscanthus × Giganteus ) Long-Term Yield Patterns Reveal Consistent Productivity Declines

Perennial grasses like switchgrass ( Panicum virgatum ) and miscanthus ( Miscanthus × giganteus ) are expected to supply a substantial amount of the United States bioeconomy's feedstock demand. However, uncertainties around their long-term yields challenge the viability of their potential and limit their wider adoption. To resolve their long-term yield patterns, we analyzed over 200 plantings of switchgrass and miscanthus across Michigan and Wisconsin, USA, measured over 5–15 years. We found a consistent two-phase long-term yield dynamic; during a yield-building phase , peak yields occurred within 4–5 years after planting, followed by a yield-decline phase in which switchgrass and miscanthus lost 30%–47% and 14%–40% of peak yields, respectively. Among the potential drivers of this dynamic and the yield decline, we found that weather conditions had little impact, as the variation across years was not large enough to drive the observed yield differences. Added nitrogen increased peak yields by 10%–20% and attenuated the yield decline by 20%–50%. However, since fertilized stands still showed a yield decline, other factors became limiting as stands aged. This conserved long-term yield dynamic has direct implications on management. A farm-to-gate economic analysis suggests replanting switchgrass and miscanthus 5 and 9 years following their peak yields maximizes profit over a 30-year time horizon. Results call for further management and breeding strategies to mitigate the yield-decline phase, and for reparameterization of global bioenergy models with carbon capture and storage, which may overestimate yields and the economic and environmental benefits of crops grown for bioenergy feedstocks.

bioenergy↗
DOE OSTI2020

Optimization of Energy Flow through Synthetic Metabolic Modules and Regulatory Networks in a Model Photosynthetic Eukaryotic Microbe

Photosynthetic organisms have recently gained considerable attention for a role in development of renewable energy sources. Genome-enabled systems biology methods, coupled with functional and synthetic genomics, present opportunities to develop sustainable and economical applications such as fuel production within the next 10 to 15 years. However, optimization of light-driven metabolism for biomass or biofuel production will require a detailed systems biology understanding of photosynthetic processes and cellular metabolism. Genome-scale metabolic models (GEMs) are at the core of systems analysis of cellular processes and form a common organizational framework for analyses of data resulting from functional genomics experimental work and computational studies. Therefore, there is a clear demand for high quality photosynthetic model organisms and the appropriate computational tools that enable systems analysis of light-driven metabolism. Through research conducted we expanded the currently available repertoire of photosynthetic GEMs to include the commercially valuable model diatom Phaeoctylum tricornutum. Diatoms have a peculiar and distinct evolutionary footprint and represent a major eukaryotic lineage that is taxonomically and functionally distinct from green and red algae and vascular plants. Therefore, the true potential for light-driven metabolism aimed at biofuel production remains poorly understood at a systems level for a large subset of the global diversity of photosynthetic organisms. The metabolic capabilities of P. tricornutum were comparatively modeled with those from other photosynthetic groups in order to elucidate the occurrence of metabolic traits within and between phototrophs. Additionally, this research resulted in significant extension of the COnstraints Based Reconstruction and Analysis (COBRA) Toolbox to accommodate the crucial need for infrastructure required for ‘omics data integration and analysis in the context of genome-scale models. Therefore, the proposed research achieved two important goals. First, within the broad scope of photosynthetic organisms, we functionally compared and, as a result, identified cellular processes that require optimization in order to enable deployment as biofuel feedstock. Second, the proposed research resulted in development of key computational infrastructure, which can be further extended to other biological systems, that is currently lacking but necessary for multiple ‘omics data integration.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Chapter 6: TEA and LCA of Bio-Based Polyurethanes

For bio-based polyurethane (PU) to replace its conventional petroleum-based counterpart, it must be cost-competitive while providing a positive environmental benefit. Techno-economic analysis (TEA) and life cycle assessment (LCA) provide tools to quantify the economic and environmental viability of bio-based PU and to identify key drivers. Here we describe TEA and LCA methodologies for assessing bio-based PU, including an example case study for producing a flexible PU foam. This process has the potential to be cost-competitive with traditional PU based on a published study using a linseed oil proxy feedstock. Bio-based PU also demonstrates environmental advantages in some categories considered but faces challenges in others compared to petroleum-based PU. Further TEA and LCA beyond the case study may enable assessment for alternative product and process variations that are possible for bio-based PU.

bio-based polyurethane↗
DOE OSTI2020

Modular CO 2 Capture Processes for Integration with Modular Scale Gasification Technologies: Literature Review and Gap Analysis for Future R&D

The motivation for this report is the recent focus of the U.S. Department of Energy’s (DOE) gasification program to develop modular scale gasification processes for electricity generation and other applications. Mass-produced, modular gasification systems have been proposed to decrease the upfront capital costs and to encourage flexible deployment of advanced gasification technology using a diverse set of feedstocks. To fully realize the benefits of advanced gasification technology for power generation as well as other chemical applications, precombustion carbon dioxide (CO 2 ) capture must be considered. Therefore, the aim of this report is to assess the potential of integrating modular scale carbon capture processes with modular scale coal gasification technologies, and to help guide future research and development efforts in this area.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Study of Poly(ether ketone ketone) (PEKK): Outgassing Characteristics and Likely Residual Synthesis Impurities

In May-June, 2020, a study was conducted to characterize the outgassing properties of a series PEKK (Poly(ether ketone ketone)) samples using cryo-GC/MS headspace analysis. Three sets of samples were interrogated: sample group 1 consisted of 2 additively manufactured PEKK samples (PEKK "ole and "New") prepared by KCNSC from powder material from Solvay Specialty Polymers USA, LLC. Sample groups 2 and 3 consist of 5 PEKK powder types (used as feedstock for additive manufacturing processes) and 4 additively-manufactured PEKK material lots, respectively. Contrary to expectations, all samples of PEKK material were observed to outgas sulfur-containing compounds. Other analyses (EDS/EMA, GC-TOF/MS of PEKK sample extractions) confirmed the presence of sulfur in the PEKK bulk material. Specifically, Diphenyl sulfone (used as a reagent or high-temperature solvent in the synthesis of Polyaryletherketone or PAEK polymers) was observed in three of the powders and in both the PEKK "Old" and "New" samples, suggesting that the source of the sulfur can be traced to impurities in the material left over from the synthesis process.

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

Consortium for Production of Affordable Carbon Fibers in the United States (Final Report)

Various feedstocks from coal, petroleum and bio-based acrylonitrile were investigated for their ability to produce carbon fiber within DOE strength (250 ksi), modulus (25 Msi), elongation (>1%) and cost (≤$5/lb) goals for wider utilization in light-weight vehicles for the automotive industry. The overarching approach was to chemically identify and map the various feedstocks, understand the molecular transformation to produce carbon fiber precursors (mesophase for pitch materials of polyacrylonitrile polymer) and how these impact carbon fiber quality. Predictive models were built to relate the feedstocks and precursors to carbon fiber properties using atomistic and micro-scale modeling within ±15%. Using tow-level carbon fiber epoxy composites, carbon fibers tow-level predictions of elastic components of the carbon fibers were also successfully modeled within ±15%, using finite element analysis to confirm single filament carbon fiber properties. These models were validated with tow-level epoxy composite experiments from carbon fibers produced in this study.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Production of Carbon Nanomaterials and Sorbents from Domestic U.S. Coal (Final Report)

The main goal of this project was to produce high-value carbon nanomaterials and carbon sorbents from domestic coal resources in a cost-effective manner. Four types of domestic coal samples were processed through a combination of deashing, devolatilization, oxidation, reduction, and activation treatments to produce graphene oxide (GO), reduced graphene oxide (RGO), and activated carbon (AC). The precursors and developed materials were extensively characterized by various methods to investigate the impact of the coal feedstock type on the yield and quality of each product. A commercial graphite-based GO sample was included in the experimental work as the baseline material for comparison with the coal-based materials developed in this work. The performed work also included a technoeconomic analysis and cost estimation for a plant processing 20 tons/day coal, a market evaluation for the graphene materials, and a technology gap analysis. A simple process by concentrated nitric acid oxidation is used to oxidize coal precursors for the production of GO. Fine oxidized coal particles that were separated from larger oxidized coal particles had significantly higher oxygen contents and were identified as coal-based GO samples. Coarse oxidized coal particles were used as precursors for production of AC. Based on the Raman spectroscopy results, coal-based GO samples exhibited G and D bands similar to those of graphite-based GO samples. X-ray photoelectron spectroscopy revealed that coal-based GO samples had surface oxygen contents of ~26-35% that were higher than the oxygen contents of graphite-based GO samples. Larger particles of oxidized coal samples were activated under different conditions to produce high surface area functionalized AC. Prepared materials had surface areas exceeding 1,500 m 2 /g and pore volumes more than 1 cm 3 /g with different pore size distributions. Reduced graphene oxide samples were prepared by thermal reduction of both coal-based and graphite-based GO samples at 170-2800 ºC. Coal-based and graphite-based RGO samples exhibited similar carbon contents, Raman spectra, and XRD profiles. Heat treatment above 1500 ºC shifted RGO to synthetic graphite. Among anthracite, bituminous, subbituminous, and lignite coals tested, anthracite was the best precursor to produce carbon nanomaterials exhibiting properties similar to those of graphite-based materials. Anthracite-based carbon nanomaterials also had the highest production yields. Technoeconomic analysis estimated the production cost of GO and RGO for anthracite-based samples at about 2,600 and 4,200 $/ton, respectively, which is about two orders of magnitude lower than the current estimated price of graphite-based materials. Several gaps to further develop the proposed technology were identified and discussed that include process and equipment optimization, process integration, need for additional bench- and pilot-scale experiments, and other items to reduce the scale up risk. Market analysis reports suggested a compound annual growth rate of 40% for graphene and related materials. Short-term applications include composites, inks, and coatings. However, energy storage applications appear to be the dominant potential long-term applications. Different applications of coal-based GO and RGO need to be explored and clear metrics and standards for each application need to be developed.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRSDate not supplied

A Comparative Assessment of Evolvable Martian ISRU Propellant Production for Future Human Missions

In 2022, NASA released its “Moon to Mars Strategy and Objectives Development” document, containing top-level goals and objectives designed to create a blueprint for sustained human presence and exploration throughout the solar system. One objective in this “blueprint” calls for the demonstration of “…Mars ISRU capabilities to support an initial human Mars exploration campaign.” NASA is looking at both the benefits and liens of this concept, as one of several trade space aspects under consideration, for inclusion in the overall architecture of the human exploration of Mars. This paper summarizes results from a series of Martian ISRU-focused trade studies from 2023 and 2024. These studies cover five different approaches to providing propellants for returning crew and equipment from the surface of Mars, using several different combinations of propellants delivered (from Earth) and produced from Martian feedstock material. For comparison purposes, the same ISRU infrastructure elements were used across all options wherever possible. The equipment mass, power, operational complexity, and time needed to produce some or all of these propellants have been quantified and compared when used in a common mission scenario. Analysis results for each option are discussed. Performance parameters for these options are compared side-by-side and observations made, including the positive and negative aspects of each case. The possibility of evolving from a simpler ISRU case to more complex cases that would potentially lead to more sustainable operations are also discussed. While no single case emerged as “better” in all aspects when compared to the others, there are distinct advantages and disadvantages that did emerge when comparing the results generated from a common set of assumptions for all cases. Consequently, specific mission objectives may determine which of these advantages or disadvantages are important for choosing among the cases that could benefit any particular mission or campaign.

Mars↗
NASA NTRSDate not supplied

A Comparative Assessment of Evolvable Martian ISRU Propellant Production for Future Human Missions

In 2022, NASA released its “Moon to Mars Strategy and Objectives Development” document, containing top-level goals and objectives designed to create a blueprint for sustained human presence and exploration throughout the solar system. One objective in this “blueprint” calls for the demonstration of “…Mars ISRU capabilities to support an initial human Mars exploration campaign.” NASA is looking at both the benefits and liens of this concept, as one of several trade space aspects under consideration, for inclusion in the overall architecture of the human exploration of Mars. This paper summarizes results from a series of Martian ISRU-focused trade studies from 2023 and 2024. These studies cover five different approaches to providing propellants for returning crew and equipment from the surface of Mars, using several different combinations of propellants delivered (from Earth) and produced from Martian feedstock material. For comparison purposes, the same ISRU infrastructure elements were used across all options wherever possible. The equipment mass, power, operational complexity, and time needed to produce some or all of these propellants have been quantified and compared when used in a common mission scenario. Analysis results for each option are discussed. Performance parameters for these options are compared side-by-side and observations made, including the positive and negative aspects of each case. The possibility of evolving from a simpler ISRU case to more complex cases that would potentially lead to more sustainable operations are also discussed. While no single case emerged as “better” in all aspects when compared to the others, there are distinct advantages and disadvantages that did emerge when comparing the results generated from a common set of assumptions for all cases. Consequently, specific mission objectives may determine which of these advantages or disadvantages are important for choosing among the cases that could benefit any particular mission or campaign.

Propellant↗
DOE OSTI2022

CFD-DEM Modeling of Autothermal Pyrolysis of Corn Stover with a Coupled Particle- and Reactor-Scale Framework

Autothermal operation of fast pyrolysis is an efficient process-intensification technique wherein exothermic oxidation reactions are used to overcome the heat-transfer bottleneck of conventional pyrolysis. The development of accurate, reliable modeling toolsets is imperative to generating a deeper understanding of biomass autothermal pyrolysis systems to support scale-up and industrial deployment. This modeling effort describes the development of single-particle and reactor models which incorporate detailed reaction schemes and simultaneous exothermic oxidation reactions. The particle-scale model was parameterized for corn stover feedstock with particle morphology, density, ash content, and biopolymer composition, all of which impact the emergent conversion characteristics during pyrolysis. Results were then used to parameterize a reactor-scale autothermal pyrolysis model, which was developed using a coarse-grained computational fluid dynamic-discrete element method. The simulation results compared well with experimental results, with the predicted bio-oil, light gas, and biochar yield within 3.0 wt% of the experimental yields. Further analyses were performed to test the influence of equivalence ratio, biomass injection position, and particle size distribution on autothermal pyrolysis. The analysis of the physio-chemical properties of the fluid and solid phase inside the reactor and at the reactor outlet help reveal important process interactions of autothermal pyrolysis.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗
DOE OSTI2025

Supply Chain Energy and Greenhouse Gas Analysis Using the Materials Flows Through Industry (MFI) Tool: Examination of Alternative Technology Scenarios for the U.S. Chemical Sector

Chemical manufacturing is a large and diverse sector of the U.S. economy, with products, fuels, and a wide assortment of materials used daily by both the public and businesses. Currently, several of the largest volume chemicals produced in the United States rely on fossil fuels as a feedstock, energy source, or both. The list of chemicals includes steam cracking products such as ethylene, propylene, benzene, and xylenes as well as products such as ammonia and methanol. The focus for this work is on platform chemicals that are both produced in the largest volume and have a high potential for subsequent processing into more specialized products. In this study, we explore several new pathways that reduce the overall energy consumption and greenhouse gas (GHG) emissions for each product. These pathways include energy efficiency measures applied to existing production methods, the use of bio‐based fuels and/or feedstocks as new production methods, and electrification of high‐energy‐input stages within current production methods. Scenarios for energy demand and GHG reduction were conducted with the National Renewable Energy Laboratory's Materials Flows through Industry tool. Projections of the energy demand and GHG emissions in 2030 and 2050 are included, using grid composition projections from the NREL ReEDS model. The alternative scenarios selected showcase the effect of realistic changes the industry could make, focusing on technologies with a high level of technical readiness.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Circular Economy Contributions to Decarbonizing the US Steel Sector

The potential benefits of the circular economy (CE) for decarbonization have recently attracted much attention in the academic and grey literature. The department of energy (DOE) industrial decarbonization roadmap highlight that in addition to the four pillars (energy efficiency, electrification, low-carbon fuels, feedstocks, and energy sources, and carbon capture, utilization, and storage (CCUS)) identified in the roadmap, "scenarios [...] will need to be developed that incorporate materials efficiency and circular economy strategies". Moreover, the roadmap identifies hard-to-abate CO2 emissions across the five industrial subsectors included in the analysis (iron & steel, chemical, food & beverage, refining, and cement manufacturing). Thus, additional options to decarbonize the industrial sector, like the CE, could prove beneficial to address those hard-to-abate emissions. Moreover, they may be less costly, require less R&D or incentives, and be more readily adopted than other strategies such as energy efficiency and CCUS. While the Industrial Decarbonization Roadmap includes some CE strategies (e.g., the increasing market share of steel from electric arc furnaces - which incorporate steel scrap), a deeper dive into what role the CE could play in the United States (US) industrial decarbonization is needed. In this work, we present several industrial decarbonization scenarios that incorporate materials efficiency and circular economy strategies for the iron & steel subsector. The scenarios identify barriers (including technical limits and constraints), opportunities, and R&D needs.Moreover, we estimate the contribution of those scenarios to reducing the industrial sector's CO2 emissions and their potential synergies with the Industrial Decarbonization Roadmap's four pillars. Iron & steel manufacturing was responsible for 90 million tons of industrial CO2 emissions in 2020 - 7% of the industrial sector's total process- related emissions. Besides recycling - which presents technical limitations due to trace contaminants - CE strategies on the demand side could lower iron & steel manufacturing emissions (e.g., the development of lighter products or business models that encourage a more intensive use). This study reviews barriers, opportunities, and trade-offs for 5 material efficiency strategies. Many topics explored in the review call for further research.

barriers↗
DOE OSTI2023

Deep decarbonization and U.S. biofuels production: a coordinated analysis with a detailed structural model and an integrated multisectoral model

Scenarios for deep decarbonization involve biomass for biofuels, biopower, and bioproducts, and they often include negative emissions via carbon capture and storage or utilization. However, critical questions remain about the feasibility of rapid growth to high levels of biomass utilization, given biomass and land availability as well as historical growth rates of the biofuel industry. We address these questions through a unique coordinated analysis and comparison of carbon pricing effects on biomass utilization growth in the United States using a multisectoral integrated assessment model, the Global Change Analysis Model (GCAM), and a biomass-to-biofuels system dynamics model, the Bioenergy Scenario Model (BSM). We harmonized and varied key factors—such as carbon prices, vehicle electrification, and arable land availability—in the two models. We varied the rate of biorefinery construction, the fungibility of feedstock types across conversion processes, and policy incentives in BSM. The rate of growth in biomass deployment under a carbon price in both models is within the range of current literature. However, the reallocation of land to biomass feedstocks would need to overcome bottlenecks to achieve growth consistent with deep decarbonization scenarios. Investments as a result of near-term policy incentives can develop technology and expand capacity—reducing costs, enabling flexibility in feedstock use, and improving stability—but if biomass demand is high, these investments might not overcome land reallocation bottlenecks. Biomass utilization for deep decarbonization relies on extraordinary growth in biomass availability and industrial capacity. In this paper, we quantify and describe the potential challenges of this rapid change.

09 BIOMASS FUELS↗
DOE OSTI2026

Biogas Utilization in Refuse Power Plants (BURP 2 )

The BURP 2 project investigated the technical and financial viability of co firing biogas with waste coal for power generation while using carbon capture and sequestration to achieve net negative emissions. A comparative assessment integrating geospatial mapping, technoeconomic analysis, and life cycle analysis was carried out to evaluate retrofitting an existing coal fired facility in West Virginia, versus developing a new greenfield power plant in Kentucky located near a low quality coal resource. The study found that CO 2 capture rates of 90% or higher, in combination with biogas feedstocks such as animal manure, could significantly reduce global warming potential compared to plants using neither biogas nor CO 2 capture systems. Economic feasibility depended heavily on federal tax credits and proximity to fuel sources. In both greenfield and retrofit scenarios, access to biogas played a key role. Because the retrofit site was located close to existing biogas resources, it represented a feasible option, whereas the greenfield site, being far from pipelines or biogas sources, would require prohibitively expensive biogas transport infrastructure. Overall, the research showed that repurposing waste or low-quality coal with renewable biogas and CO 2 capture systems could provide a viable approach for reducing carbon emissions in power production, if biogas resources are easily accessible and available in sufficient quantities.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1980

Reduced product yield in chemical processes by second law effects

An analysis of second law effects in chemical processes, where product yield is explicitly related to the individual irreversibilities within the process to indicate a maximum theoretical yield, is presented. Examples are given that indicate differences between first and second law approaches toward process efficiency and process yield. This analysis also expresses production capacity in terms of the heating value of a product. As a result, it is particularly convenient in analyzing fuel conversion plants and their potential for improvement. Relationships are also given for the effects of irreversibilities on requirements for process heat and for feedstocks.

England, C.↗
DOE OSTI2022

High-resolution mapping reveals hotspots and sex-biased recombination in Populus trichocarpa

Abstract Fine-scale meiotic recombination is fundamental to the outcome of natural and artificial selection. Here, dense genetic mapping and haplotype reconstruction were used to estimate recombination for a full factorial Populus trichocarpa cross of 7 males and 7 females. Genomes of the resulting 49 full-sib families (N = 829 offspring) were resequenced, and high-fidelity biallelic SNP/INDELs and pedigree information were used to ascertain allelic phase and impute progeny genotypes to recover gametic haplotypes. The 14 parental genetic maps contained 1,820 SNP/INDELs on average that covered 376.7 Mb of physical length across 19 chromosomes. Comparison of parental and progeny haplotypes allowed fine-scale demarcation of cross-over regions, where 38,846 cross-over events in 1,658 gametes were observed. Cross-over events were positively associated with gene density and negatively associated with GC content and long-terminal repeats. One of the most striking findings was higher rates of cross-overs in males in 8 out of 19 chromosomes. Regions with elevated male cross-over rates had lower gene density and GC content than windows showing no sex bias. High-resolution analysis identified 67 candidate cross-over hotspots spread throughout the genome. DNA sequence motifs enriched in these regions showed striking similarity to those of maize, Arabidopsis, and wheat. These findings, and recombination estimates, will be useful for ongoing efforts to accelerate domestication of this and other biomass feedstocks, as well as future studies investigating broader questions related to evolutionary history, perennial development, phenology, wood formation, vegetative propagation, and dioecy that cannot be studied using annual plant model systems.

59 BASIC BIOLOGICAL SCIENCES↗