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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Utilizing waste heat in wastewater treatment plants for water desalination: Modeling and Multi-Objective optimization of a Multi-Effect desalination system using Decision Tree Regression and Pelican optimization algorithm

This paper examines the feasibility of using waste heat from wastewater treatment plants (WWTPs) for water desalination. A model was developed to utilize waste heat from the gensets at As Samra WWTP in Jordan, using real data and TRNSYS® software to calculate available waste heat. The desalination process was then modeled with ASPEN PLUS® software, focusing on multi-effect desalination (MED). Both series and parallel configurations for the MED system were compared. The study investigated the effects of system feeding flow rate, feeding pressure, and heat input on productivity, performance ratio, and recovery ratio. The study also introduces a novel optimization technique combining machine learning and modern optimization algorithms to maximize system productivity and performance. Initially, a decision tree regression (DTR) model is developed to establish relationships between key independent variables (flow rate, feed pressure, and heat input) and dependent variables (productivity, performance ratio, and recovery ratio). The Pelican Optimization Algorithm (POA) is then used to identify the optimal values of the independent variables for maximum productivity and performance. The results show that using a series configuration yields a system productivity of 3984.2 kg/hr, a performance ratio of 3.78, and a recovery ratio of 0.991 at a feed flow rate of 4000 kg/hr, feed pressure of 3 bars, and heat input of 719 kW. Optimal productivity (4421 kg/hr), performance ratio (3.81), and recovery ratio (0.851) are achieved at a feed flow rate of 5166 kg/hr, feed pressure of 3.2 bars, and heat input of 794 kW. In conclusion, the techno-economic assessment indicates a levelized cost of water of 1.63 USD/m 3 for parallel configurations and 1.65 USD/m 3 for series configurations, with a payback period of less than two years.

42 ENGINEERING↗
DOE OSTI2026

Production of high-quality polyethylene (PE) films from post-consumer shrink wrap with solvent targeted recovery and precipitation (STRAP)

The solvent-targeted recovery and precipitation (STRAP™) process separates polymers from contaminants present in the feedstock. In this work, we demonstrate the recyclability of a post-consumer waste (PCW) shrink wrap that contains inks, adhesives, and paper using STRAP. We produced a clear rPE cast film from the PCR shrink wrap with no visual contamination from paper or inks. STRAP decreased the ash content from 0.96 wt% to 0.24 wt%. A techno-economic analysis (TEA) shows that a STRAP plant processing 50,000 metric tons annually of shrink wrap waste (purchased at $\$0.25$/kg) containing 85 wt% PE can achieve an IRR of 16.2% when selling rPE at $\$1.30$/kg, an IRR of 10.7% with an rPE price of $\$1.00$/kg, or an IRR of 3.79% with an rPE price of $\$0.70$/kg. Furthermore, the life cycle assessment (LCA) shows a 64% reduction in global warming potential (kg CO 2 equivalent) when compared to the production of virgin LDPE. As a result, this work shows how feedstocks with insoluble impurities can be recycled using STRAP on a large scale.

Radkevich, Elizaveta [University of Wisconsin-Madi↗
DOE OSTI2023

Improving knife milling performance for biomass preprocessing by using advanced blade materials

Mechanical preprocessing of biomass, including size reduction, is a crucial step in converting biomass into biofuel. However, feedstock inevitably contains abrasive intrinsic and extrinsic inorganics that may cause excessive tool wear in preprocessing. Here, this work demonstrates that performance of a knife mill can be significantly improved by applying a more wear-resistant blade material. A series of full-scale knife mill tests were performed for size reduction of forest residue using blades of tungsten carbide (WC–Co), iron-borided tool steel, and diamond-like carbon (DLC) coated tool steel. Blade material loss was quantified in correlation to the amount of feedstock processed and wear mechanisms were investigated via worn surface characterization. While the thin DLC coating was removed quickly, the WC-Co and iron-borided blades improved the tool life by 8X and 3X compared with the M2 tool steel blades (baseline), respectively. The in-situ throughput and power consumption measurements provided additional insights. The WC-Co and iron-borided blades had ~3X higher throughput than the baseline blades by the end of the test with lower normalized power consumption. The experimental results were then used as input for a techno-economic analysis, which suggested that the more wear resistant blades could cut the knife milling cost by $2–3 per ton of biomass processed with downtime reduced by 65–85%.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Process Intensification for the Biological Production of the Fuel Precursor Butyric Acid from Biomass

The production of fuels from lignocellulosic biomass is key to reduce our reliance on petroleum and to promote a sustainable bioeconomy. Butyric acid (BA) is a promising chemical precursor for the production of renewable diesel and jet fuels. BA can be biologically produced from lignocellulosic sugars. However, challenges associated with product selectivity and recovery must be overcome to achieve industrially relevant metrics. Here, we evaluate various fermentation configurations and demonstrate near-homo-butyrate production by using the biocatalyst Clostridium tyrobutyricum. We also develop an advanced in situ product recovery process based on hybrid extraction-distillation (HED-ISPR) and conduct techno-economic analyses and life cycle assessments. We demonstrate that the HED-ISPR process lowers the overall capital and operating expenses and environmental impact compared to other traditional fermentation processes. Overall, BA minimum product selling price from biomass is 55% of the current BA selling price from petroleum, a significant decrease toward viable renewable fuel production.

09 BIOMASS FUELS↗
DOE OSTI2022

Value-creating upcycling of retired electric vehicle battery cathodes

The electrification revolution in the automobile and other industries demands annual production capacity of batteries of at least 10 2 GWh, which presents a twofold challenge: supply of key materials such as cobalt and nickel and recycling when batteries are retired from use. Pyrometallurgical and hydrometallurgical recycling are currently used in industry but suffer from complexity, high costs, and secondary pollution. Here we report a molten-salt-based method for direct recycling (MSDR) that is environmentally benign and creates value on the basis of a techno-economic analysis using real-world data and price information. We also experimentally demonstrate the feasibility of MSDR by upcycling a low-nickel polycrystalline LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC) cathode material into Ni-rich (Ni > 65%) single-crystal NMCs with increased energy density (>10% increase) and outstanding electrochemical performance (>94% capacity retention after 500 cycles). This work may open opportunities for closed-loop recycling of electric vehicle batteries and manufacturing of next-generation NMC cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2023

Evaluation of 1,2-diacyl-3-acetyl triacylglycerol production in Yarrowia lipolytica

Plants produce many high-value oleochemical molecules. While oil-crop agriculture is performed at industrial scales, suitable land is not available to meet global oleochemical demand. Worse, establishing new oil-crop farms often comes with the environmental cost of tropical deforestation. The field of metabolic engineering offers tools to transplant oleochemical metabolism into tractable hosts while simultaneously providing access to molecules produced by non-agricultural plants. Here, we evaluate strategies for rewiring metabolism in the oleaginous yeast Yarrowia lipolytica to synthesize a foreign lipid, 3-acetyl-1,2-diacyl-sn-glycerol (acTAG). Oils made up of acTAG have a reduced viscosity and melting point relative to traditional triacylglycerol oils making them attractive as low-grade diesels, lubricants, and emulsifiers. Furthermore, this manuscript describes a metabolic engineering study that established acTAG production at g/L scale, exploration of the impact of lipid bodies on acTAG titer, and a techno-economic analysis that establishes the performance benchmarks required for microbial acTAG production to be economically feasible.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Carbon-conserving bioproduction of malate in an E. coli -based cell-free system

Formate, a biologically accessible form of CO 2 , has attracted interest as a renewable feedstock for bioproduction. However, approaches are needed to investigate efficient routes for biological formate assimilation due to its toxicity and limited utilization by microorganisms. Cell-free systems hold promise due to their potential for efficient use of carbon and energy sources and compatibility with diverse feedstocks. However, bioproduction using purified cell-free systems is limited by costly enzyme purification, whereas lysate-based systems must overcome loss of flux to background reactions in the cell extract. Here, we engineer an E. coli-based system for an eight-enzyme pathway from DNA and incorporate strategies to regenerate cofactors and minimize loss of flux through background reactions. We produce the industrial di-acid malate from glycine, bicarbonate, and formate by engineering the carbon-conserving reductive TCA and formate assimilation pathways. We show that in situ regeneration of NADH drives metabolic flux towards malate, improving titer by 15-fold. Background reactions can also be reduced 6-fold by diluting the lysate following expression and introducing chemical inhibitors of competing reactions. Together, these results establish a carbon-conserving, lysate-based cell-free platform for malate production, producing 64 μM malate after 8 h. This system conserves 43 % of carbon otherwise lost as CO 2 through the TCA cycle and incorporates 0.13 mol CO 2 equivalents/mol glycine fed. Finally, techno-economic analysis of cell-free malate production from formate revealed that the high cost of lysate is a key challenge to the economic feasibility of the process, even assuming efficient cofactor recycling. This work demonstrates the capabilities of cell-free expression systems for both the prototyping of carbon-conserving pathways and the sustainable bioproduction of platform chemicals.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Autothermal Chemical Looping Oxidative Dehydrogenation of Ethane: Redox Catalyst Performance, Longevity, and Process Analysis

Energy-efficient upgrading of stranded ethane from shale gas to olefins holds the promise of increasing the supply of useful chemical feedstocks while reducing flaring-based CO 2 emissions. Previously, we reported a modular ethane-to-liquids (M-ETL) system based on a chemical looping oxidative dehydrogenation (CL-ODH) scheme. In this article, we present long-term (>1200 h) results of Li 2 CO 3 -promoted La 0.8 Sr 0.2 FeO 3 corresponding to ~4125 CL-ODH cycles in a large laboratory-scale packed bed reactor. Temperature monitoring along the bed length confirmed the exothermicity of both the oxidative dehydrogenation and regeneration steps, enabling an autothermal operation. Product gas analysis indicated that the redox catalyst maintains a high C 2+ selectivity (~90%) and ethane conversion (~67%) at 735 °C after continuous cycling of >1000 h. As a result, product distributions and heats of reactions were used to update our M-ETL process model for revised techno-economic analysis, demonstrating that the current system is economically viable with relatively low required selling prices across a wide range of operating scenarios.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Challenges and Opportunities for Bio-oil Refining: A Review

Bio-oil derived from fast pyrolysis of lignocellulosic materials is among the most complex and inexpensive raw oils that can be produced today. Although commercial or demonstration scale fast pyrolysis units can readily produce this oil, this industry has not grown to significant commercial impact due to the lack of bio-oil market pull. This paper is a review of the challenges and opportunities for bio-oil upgrading and refining. Pyrolysis oil consists of six major fractions. (water 15-30 wt.%, light oxygenates, 8-26 wt.%. mono-phenols, 2-7 wt.%, water insoluble oligomers derived from lignin 15-25wt.%, and water soluble havey molecules 10-30 wt.%). The composition of water-soluble oligomers is relatively poorly studied. In the 1880s, bio-oil refining (formally known as wood distillation) targeted the separation and commercialization of C1-C4 light oxygenated compounds to produce methanol, acetic acid and acetone with the commercialization of the lignin derived water insoluble fraction for preserving wooden sailing vessels against rot. More recently the company Ensyn extracted and commercialized condensed natural smoke as a food additive. Most research efforts in the last twenty years have focused on the two-step hydrotreatment concept for the production of transportation fuels. In spite of major progress this concept remains at the demonstration. In this review, the opportunities and progress to separate bio-oil fractions and chemicals, mainly acetic acid (HAc), hydroxyacetaldehyde (HHA) and acetol, and convert them into value added co-products are thoroughly discussed. In spite of the large number of separation schemes and products tested, very few of them have been studied as part of fully integrated bio-oil refinery concepts. Furthermore, the synthesis, techno-economic and environmental evaluation of novel integrated bio-oil refinery concepts is likely to become a subject of intense research activity in the coming years.

09 BIOMASS FUELS↗
DOE OSTI2024

Prioritization of Early-Stage Research and Development of a Hydrogel-Encapsulated Anaerobic Technology for Distributed Treatment of High Strength Organic Wastewater

This study aims to support the prioritization of research and development (R&D) pathways of an anaerobic technology leveraging hydrogel-encapsulated biomass to treat high-strength organic industrial wastewaters, enabling decentralized energy recovery and treatment to reduce organic loading on centralized treatment facilities. To characterize the sustainability implications of early-stage design decisions and to delineate R&D targets, an encapsulated anaerobic process model was developed and coupled with design algorithms for integrated process simulation, techno-economic analysis, and life cycle assessment under uncertainty. Across the design space, a single-stage configuration with passive biogas collection was found to have the greatest potential for financial viability and the lowest life cycle carbon emission. Through robust uncertainty and sensitivity analyses, we found technology performance was driven by a handful of design and technological factors despite uncertainty surrounding many others. Hydraulic retention time and encapsulant volume were identified as the most impactful design decisions for the levelized cost and carbon intensity of chemical oxygen demand (COD) removal. Encapsulant longevity, a technological parameter, was the dominant driver of system sustainability and thus a clear R&D priority. Ultimately, we found encapsulated anaerobic systems with optimized fluidized bed design have significant potential to provide affordable, carbon-negative, and distributed COD removal from high strength organic wastewaters if encapsulant longevity can be maintained at 5 years or above.

Anaerobic Treatment↗
DOE OSTI2026

Spatial Optimization of Multiscale Biorefinery Deployment for a Diversified Bioeconomy in the United States

Strategic biorefinery siting is critical for a diversified bioeconomy, yet industry, policy, and research often focus on either large-scale biofuel plants or smaller-scale specialty bioproduct facilities, with limited coordination across scales. We address this gap by modeling biorefinery deployment spanning a 28-fold difference in capacity. We developed an open-source, spatially explicit framework integrating techno-economic analysis with logistics and refinery cost surrogate models to evaluate multiscale miscanthus-derived biorefineries across the rainfed U.S. for the production of ethanol, succinic acid, lactic acid, potassium sorbate, and acrylic acid. Overall costs change little as feedstock density increases, while transport distances decrease by ∼30 to 67% (∼100 km) and siting flexibility improves. Specifically, a 5-fold feedstock density increase (2% to 10% of suitable land) reduces minimum selling prices by <10% (e.g., 0.27 USD·gal –1 for ethanol). This limited economic sensitivity suggests dense planting is not required for competitive deployment, particularly for smaller-scale facilities. Representing collection areas as irregular rather than circular expands the feasible space under low-density scenarios. While large-scale refineries anchor regional supply chains, smaller facilities retain spatial flexibility even when large refineries are established. These findings highlight the importance of spatial representation and multiscale coordination for robust, regionally tailored biomanufacturing networks to advance renewable carbon integration without extensive land conversion.

biorefinery siting↗
DOE OSTI2019

The Renewable Fuel Standard May Limit Overall Greenhouse Gas Savings by Corn Stover-Based Cellulosic Biofuels in the U.S. Midwest: Effects of the Regulatory Approach on Projected Emissions

The Renewable Fuel Standard (RFS) program specifies a greenhouse gas (GHG) reduction threshold for cellulosic biofuels, while the Low Carbon Fuel Standard (LCFS) program in California does not. Here, we investigate the effects of the GHG threshold under the RFS on projected GHG savings from two corn stover-based biofuel supply chain systems in the United States Midwest. The analysis is based on a techno-economic framework that minimizes ethanol selling price. The GHG threshold lowers the lifecycle GHG of ethanol: 34.39 +/- 4.92 gCO(2) MJ(-1) in the RFS-compliant system and 46.30 +/- 10.05 gCO(2) MJ1 in the non RFS-compliant system. However, hypothetical biorefinery systems complying with the RFS will not process the more GHG-intensive corn stover, and thus much less biofuel will be produced compared to the non RFS-compliant system. Thus, taken as a whole, the non RFS-compliant system would achieve more GHG savings than an RFS-compliant system: 10.7 TgCO(2) year(-1) in the non RFS-compliant system compared with 4.4 TgCO(2) year1 in the RFS-compliant system. These results suggest that the current RFS GHG reduction threshold may not be the most efficient way to carry out the purposes of the Energy Security and Independence Act in the corn stover-based biofuel system: relaxing the threshold could actually increase the overall GHG savings from corn stover-based biofuels. Therefore, the LCFS-type regulatory approach is recommended for the corn stover-based cellulosic biofuel system under the RFS program. In addition, our calculation of the GHG balance for stover-based biofuel accounts for SOC losses, while the current RFS estimates do not include effects on SOC.

CARBON, BIOMASS, VOLUME↗
DOE OSTI2018

A Unified Modeling Framework to Advance Biofuel Production from Microalgae

Modeling efforts to understand the financial implications of microalgal biofuels often assume a static basis for microalgae biomass composition and cost, which has constrained cultivation and downstream conversion process design and limited in-depth understanding of their interdependencies. For this work, a dynamic biological cultivation model was integrated with thermo-chemical/biological unit process models for downstream biorefineries to increase modeling fidelity, to provide mechanistic links among unit operations, and to quantify minimum product selling prices of biofuels via techno-economic analysis. Variability in design, cultivation, and conversion parameters were characterized through Monte Carlo simulation, and sensitivity analyses were conducted to identify key cost and fuel yield drivers. Cultivating biomass to achieve the minimum biomass selling price or to achieve maximum lipid content were shown to lead to suboptimal fuel production costs. Depending on biomass composition, both hydrothermal liquefaction and a biochemical fractionation process (combined algal processing) were shown to have advantageous minimum product selling prices, which supports continued investment in multiple conversion pathways. Ultimately, this work demonstrates a clear need to leverage integrated modeling platforms to advance microalgae biofuel systems as a whole, and specific recommendations are made for the prioritization of research and development pathways to achieve economical biofuel production from microalgae.

09 BIOMASS FUELS↗
DOE OSTI2022

Methane Catalytic Pyrolysis by Microwave and Thermal Heating over Carbon Nanotube-Supported Catalysts: Productivity, Kinetics, and Energy Efficiency

Methane catalytic pyrolysis, which is the reaction to produce hydrogen and carbon without emitting CO 2 , represents an approach for decarbonization using natural gas as an energy resource. In this work, the endothermic pyrolysis reaction was carried out under two heating scenarios: convective thermal heating and microwave-driven irradiative heating. The pyrolysis reaction was conducted at 550-600 °C over carbon nanotube-supported Ni-Pd and Ni-Cu catalysts. On both catalysts, an enhanced methane conversion rate was observed under microwave irradiation. The enhanced catalytic activity was hypothetically caused by the presence of free electrons in the carbon atoms within CNT that enabled the CNT support to absorb microwave energy effectively and to be heated efficiently by microwave. The microwave catalytic pyrolysis has shown improvement in kinetics, where the apparent activation energy dropped from 45.5 kJ/mol under conventional convective heating to 24.8 kJ/mol under microwave irradiation. When the methane conversion rate is increased by 37 %, the microwave power consumption only changed by 10.8 %. The research demonstrated the potential of transforming natural gas to clean hydrogen and value-added carbon in a more energy-efficient way. Process simulation and techno-economic analysis showed that potentially hydrogen minimum selling price of about $1 /kg H 2 could be achieved.

03 NATURAL GAS↗
DOE OSTI2017

Technical Performance and Economic Evaluation of Evaporative and Membrane-Based Concentration for Biomass-Derived Sugars

Several conversion pathways of lignocellulosic biomass to advanced biofuels require or benefit from using concentrated sugar syrups of 600 g/L or greater. And while concentration may seem straightforward, thermal sugar degradation and energy efficiency remain major concerns. This study evaluated the trade-offs in product recovery, energy consumption, and economics between evaporative and membrane-based concentration methods. The degradation kinetics of xylose and glucose were characterized and applied to an evaporator process simulation. Though significant sugar loss was predicted for certain scenarios due to the Maillard reaction, industrially common falling-film plate evaporators offer short residence times (<5 min) and are expected to limit sugar losses. Membrane concentration experiments characterized flux and sugar rejection, but diminished flux occurred at >100 g/L. A second step using evaporation is necessary to achieve target concentrations. Techno-economic process model simulations evaluated the overall economics of concentrating a 35 g/L sugar stream to 600 g/L in a full-scale biorefinery. A two-step approach of preconcentrating using membranes and finishing with an evaporator consumed less energy than evaporation alone but was more expensive because of high capital expenses of the membrane units.

09 BIOMASS FUELS↗
DOE OSTI2018

Optimal Methanol Production via Sorption-Enhanced Reaction Process

To counter the equilibrium limitations in traditional methanol production from synthesis gas, a periodic and sorption-enhanced methanol synthesis process (SE-MeOH) with in situ removal of water byproduct is designed and optimized. A generalized reaction–adsorption modeling and simulation framework is coupled with a simulation-based constrained gray-box optimizer to obtain the optimal cycle configuration, design parameters, process specifications, and operating conditions. The best-case results indicate that SE-MeOH processes can break the barrier of the current limit of industrial methanol yield and improve it by 55–87% with a slight compromise (9–46%) on CH 3 OH production capacity. This trade-off is a result of periodic operation which is required for sorption enhancement. The techno-economic optimization of a base industrial reactor also leads to more than 7% improvement in methanol yield with only 2% decrease in production capacity while keeping the cost of syngas-to-methanol production competitive. The SE-MeOH system is further optimized through varying the feed specifications and number of reactor tubes. Furthermore, the results suggest that the synthesis gas composition, flow rate, and number of tubes are the major factors in determining methanol process performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Solution Properties and Practical Limits of Concentrated Electrolytes for Nonaqueous Redox Flow Batteries

Nonaqueous redox flow batteries (NRFBs) use energized organic fluids that contain redox active organic molecules (ROMs) and supporting electrolyte. Such all-organic electrolytes have wider electrochemical stability windows than the more familiar aqueous electrolytes, potentially allowing a higher energy density in the solutions of charged ROMs. As this energy density increases linearly with the concentration of the charge carriers, physicochemical properties of concentrated ROM solutions in both states of charge present considerable practical interest. For NRFBs to become competitive with other types of flow cells, the current techno-economic analyses favor highly concentrated solutions (>1 M) with high ionic conductivity (>5 mS/cm). It is not presently clear that such solutions can have the required dynamic properties. In this paper, we show that ion diffusivities and conductivities of ROM-containing electrolytes reach maxima around 0.5 M and decrease significantly at higher concentrations; realistic limits are established for variations of these parameters. Furthermore, using closed-shell analogues for open-shell charged ROMs, we show that reconstitution of highly concentrated fluids during electrochemical charging will have strong adverse effects on their properties, including an increase in viscosity and decrease in conductivity and ion diffusivity. Finally, given our results, it appears that the target concentrations of NRFB fluids need to be reconsidered in terms of concentration-dependent conductivity and viscosity.

25 ENERGY STORAGE↗
DOE OSTI2025

System and Machine Learning-Guided Materials Design for High-Pressure Hydrogen Compression

Cost-effective and reliable hydrogen compression remains a challenging barrier in the widespread adoption of hydrogen as an energy carrier. The prevailing technology of mechanical compression suffers from several drawbacks, some of which can be addressed by nonmechanical compression strategies (e.g., electrochemical or metal hydride-based thermal compression). Thermally driven metal hydride compression strategies typically rely on multistage metal hydride-based compressors; however, discovering or optimizing low-stability metal hydrides that can pressurize hydrogen upward of 1000 bar is difficult, both with respect to computational predictions and experimental validation. Here, in this study, we (1) demonstrate that simple machine learning-derived design rules can inform the rational design of alloying strategies yielding low-stability hydrides, (2) validate their experimental pressure–composition–temperature (PCT) isotherms up to 875 bar, and (3) utilize a dynamic system-level model of a metal hydride compressor design to evaluate their performance under realistic operating conditions. Importantly, this analysis yields predicted operational efficiencies of both 2-stage (90–875 bar) and 3-stage (20–875 bar) metal hydride compressors to enable further evaluation of this technology and its techno-economic outlook.

alloy optimization↗