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At least 451 records · Page 25

EchemFEM: A Firedrake-based Python package for electrochemical transport

The transition from fossil fuels to renewable energy has brought about a rapid increase in the availability of clean electricity. However, electricity generated from sources such as wind and solar are limited to intermittent operation due to daily and seasonal variation. One solution is to utilize electrochemical devices in energy storage and electrochemical manufacturing applications, where they can harness surplus energy and decarbonize chemical industries traditionally reliant on petrochemical feedstocks. Managing the growing prevalence of renewable energy underscores the importance of developing and scaling up these technologies, which can in turn facilitate the achievement of carbon emission reduction commitments of companies and developed economies. Likewise, the electrification of transport creates an increasing need for energy-dense electrochemical energy storage devices such as batteries and supercapacitors. Naturally, simulation tools are required to assist in the design of efficient and industrial-scale electrochemical devices.

30 DIRECT ENERGY CONVERSION↗

Environmental Evaluation of Gas Switching Reforming for Low Carbon Hydrogen: A Power-to-X Study

Gas Switching Reforming for hydrogen production (GSR-H2) offers a promising pathway for producing low-carbon hydrogen at scale, with significant implications for Power-to-X (PtX) systems that rely on clean hydrogen as a feedstock for synthetic fuels and chemicals. GSR-H2 integrates inherent carbon capture and thermal self-sufficiency, positioning it as an efficient alternative to conventional steam methane reforming (SMR), proton exchange membrane (PEM) electrolysis, and chemical looping reforming (CLR). Unlike SMR, GSR-H2 avoids external natural gas combustion by leveraging exothermic redox cycles to generate process steam and recover electricity internally. Its innovative reactor design consolidates all reforming stages within a single reactor cluster, eliminating the need for solid circulation found in CLR, thereby reducing capital costs and improving system reliability and scalability. This presentation describes the first environmental life cycle assessment (LCA) of GSR-H2, evaluating its environmental performance across U.S. grid and renewable energy scenarios. In a renewables-powered configuration, GSR-H2 achieves a global warming potential (GWP) of 2.77 kg CO2 equivalent per kg H2, substantially lower than SMR (10.4 kg) and competitive with PEM electrolysis (1.85 kg) and CLR (1.84 kg). Results across additional impact categories, including air quality and water use, support GSR-H2’s role as a complementary hydrogen source in PtX applications. Its reduced environmental burden, thermal integration, and simplified scale-up potential make GSR-H2 a viable contributor to net-zero PtX systems, particularly where renewable energy is abundant and electricity-intensive hydrogen production faces economic or infrastructure constraints.

03 NATURAL GAS↗

Facile Synthesis of Micrometer-sized Hierarchical Porous Si@C Anodes for High-Performance Lithium-Ion Batteries

Extensive studies have been conducted to determine if replacing graphite anodes with silicon is feasible since silicon possesses a high capacity and is an abundant resource; however, Si anodes suffer significant volume changes during cycling, which pulverizes its structure and subsequently causes rapid capacity fading. We used SiO2 nanoparticles (nSiO2) and low-cost coal-derived humic acid as a feedstock to synthesize high performance Si-C anodes for Li-ion Batteries through spray drying, calcination, and magnesiothermic reductions. Our Si-C anodes features micrometer-sized porous Si coated with a graphitized carbon shell (mpSi@C). The hierarchical graphitized carbon shell and porous silicon structure relieve the mechanical stress of the Si phase upon cycling, which stabilizes the structure. This mpSi@C composite design allows for a high initial discharge capacity of 2199.9 mAh g-1 at 0.1 A g-1 and a cycling performance of 68% capacity retention after 100 cycles at 1.0 A g-1. The multipoint contact between the Si anode and C structure allows for a remarkable performance rate of 566.3 mAh g-1 at 5.0 A g-1.

01 COAL, LIGNITE, AND PEAT↗

Plant biomass fermentation by the extreme thermophile Caldicellulosiruptor bescii for co-production of green hydrogen and acetone: Technoeconomic analysis

A variety of chemical and biological processes have been proposed for conversion of sustainable low-cost feedstocks into industrial products. Here, a biorefinery concept is formulated, modeled, and analyzed in which a naturally (hemi)cellulolytic and extremely thermophilic bacterium, Caldicellulosiruptor bescii, is metabolically engineered to convert the carbohydrate content of lignocellulosic biomasses (i.e., soybean hulls, transgenic poplar) into green hydrogen and acetone. Experimental validation of C. bescii fermentative performance demonstrated 82% carbohydrate solubilization of soybean hulls and 55% for transgenic poplar. A detailed technical design, including equipment specifications, provides the basis for an economic analysis that establishes metabolic engineering targets. This robust industrial process leveraging metabolically engineered C. bescii yields 206 kg acetone and 25 kg H 2 per metric ton of soybean hull, or 174 kg acetone and 21 kg H 2 per metric ton transgenic poplar. Beyond this specific case, the model demonstrates industrial feasibility and economic advantages of thermophilic fermentation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

An Interfacial Engineering Approach toward Operation of a Porous Solid Electrolyte CO 2 Electrolyzer

Waste CO 2 can be repurposed as a carbon feedstock for synthesizing valuable chemicals via CO 2 electrolysis. Porous solid electrolyte (PSE) CO 2 electrolysis has been demonstrated as an economically viable method to produce high purity products. This work applies an interfacial engineering approach to determine key factors to improve performance in PSE CO 2 electrolyzers. We standardize the assembly by binding the ionic resin into an ionomer wafer and utilize Computational Fluid Dynamics (CFD) to design gaskets for uniform fluid flow. Here, we employ the distribution of relaxation times (DRT) method to determine that anionic-conducting interfaces are the primary contributor to energy losses. To address this, we demonstrate that enhancing the contact between the cathode and the anion exchange membrane (AEM) and the AEM-ionic resin interface allows for low overpotential in deionized water operation.

09 BIOMASS FUELS↗

The Cost of Scaling Up in Large-Format Additive Manufacturing

Additive manufacturing (AM) of large objects has, over the last decade, required the scaling of existing material extrusion processes. The current generation of large-scale printers are primarily gantry robots with high-throughput extrusion systems. With workspaces approaching 50 m 3 , these printers have pushed the boundaries of achievable print volume while allowing the utilization of low-cost feedstocks, such as cementitious materials and polymer pellets, like those used in injection molding. Continued workspace expansion requires an examination of the inherent trade-offs, which impact capital and operational costs. Here, in this work, the authors examine these trade-offs to determine fundamental scaling laws for existing system architectures, survey the state of the art for alternative system configurations, and pose recommendations for future system designers to continue the evolution of large-scale AM systems.

3D printing↗

An Abrasive Wear Model of Knife Milling to Predict the Impact of Material Properties and Milling Parameters on Knife Edge Recession

A workable analytical abrasion model that relates critical knife-mill process parameters (geometry and rotational speed) to critical material attributes of inorganic mineral species in feedstock (density, size, and aspect ratio) and substrate (hardness and elastic modulus) was formulated to model wear of knives in knife-milling systems. Results of the model were compared to experimental observations of the edge recession of knives used in a knife mill marketed by Eberbach. Results showed good agreement between the predicted and measured shape of a worn knife and showed that a quality-by-design approach can be developed to predict component reliability based on scientific engineering principles in lieu of trial-and-error approaches.

36 MATERIALS SCIENCE↗

Managing weather- and market price-related financial risks in algal biofuel production

Large-scale algae production has garnered interest due to its potential as a biofuel feedstock. Previous research assessing the profitability of algae products has been mostly based on values averaged over time, but algae production and resulting financial returns exhibit significant variability due to weather and fluctuations in selling prices for algae-based products. In other sectors, producers often reduce weather- and market price-related financial risk with financial instruments such as insurance, but little research has been performed on the design of insurance products to protect algae producers. Furthermore, this study develops a novel index-based insurance instrument that pays-out during unfavorable weather and market conditions, then explores the instrument's effectiveness, combined with a cash reserve, in reducing revenue stream variability for an algae producer. Results indicate that a biophysically based index-insurance product tailored to the specific financial risks in algae production can reduce variability in net revenues and can do so at a lower cost than relying solely on cash reserves, the most common financial risk management tool. Assessing the performance of index-insurance in algae production is particularly timely given the passage of the 2018 Farm Bill, which newly opens opportunities for the USDA to provide crop insurance to algae producers.

09 BIOMASS FUELS↗

Performance of Regolith Feed Systems for Analog Field Tests of In-Situ Resource Utilization Oxygen Production Plants in Mauna Kea, Hawaii

This paper focuses on practical aspects of mechanical auger and pneumatic regolith conveying system feeding In-Situ Resource Utilization Oxygen production plants. The subsystems of these feedstock delivery systems include an enclosed auger device, pneumatic venturi educator, jet-lift regolith transfer, innovative electro-cyclone gas-particle separation/filtration systems, and compressors capable of dealing with hot hydrogen and/or methane gas re-circulating in the system. Lessons learned from terrestrial laboratory, reduced gravity and field testing on Mauna Kea Volcano in Hawaii during NASA lunar analog field tests will be discussed and practical design tips will be presented.

Townsend, Ivan I.↗

Application of an Erosion Wear Model to Predict Wear of Hammer Milling Components

A workable analytical erosion model that relates critical hammermill process parameters (hammermill geometry and rotational speed) to critical material attributes of inorganic mineral species in feedstock (density, size, and aspect ratio) and substrate (hardness, toughness, and fatigue ductility) was applied to model wear (more specifically, change in the shape of hammers) in hammer milling operations. Results of the model were compared to experimental observations of the shape of hammers used in the INL Stage 1 Vermeer hammermill. Results showed good agreement between predicted and measured shape of the hammer, and that a quality-by-design (QbD) approach can be developed to predict component reliability based on scientific engineering principles in lieu of trial-and-error approaches.

36 MATERIALS SCIENCE↗

Analysis of Using a Hybrid ZIRCEX Process to Generate High-Assay Low-Enriched Uranium (HALEU) - 20158

Idaho National Lab (INL) is investigating the feasibility of providing High-Assay Low Enriched Uranium (HALEU) by recovering Highly Enriched Uranium (HEU) from spent nuclear fuel (SNF) and downblending the HEU with natural, low-enriched, or depleted uranium (NU, LEU, or DU). That investigation identified that significant quantities of HALEU could be produced with a Hybrid ZIRCEX process to further advanced reactor research while reducing INL's environmental liability. Many new advanced reactor designs are being developed with improved safety, efficiency, and economics. Most require nuclear fuel with U-235 enrichment between 5% and 20%, which is defined as HALEU. Although technically feasible, there is no current domestic capability to make HALEU in the US. While it is anticipated that industry will provide HALEU through commercial enrichment once advanced reactors mature, until a market is established, an interim source of HALEU is needed to enable research and demonstration. An interim source of HALEU could be provided by recovering the HEU in some DOE-managed SNF and downblending it to between 5% and 20% using the Hybrid ZIRCEX Process. ZIRCEX is a dry head-end process to remove cladding (zirconium or aluminum) from SNF. Drying of the SNF is needed prior to introduction to ZIRCEX. After cladding removal, uranium and fission products in the bed material are oxidized and elutriated. In a Hybrid ZIRCEX process, the HEU process stream is sent to a very compact, modular solvent extraction process for uranium purification. The uranyl nitrate from solvent extraction is denitrated and calcined to produce a HALEU product ready for fuel fabrication. The long-lived fission products from solvent extraction are immobilized in glass using a small in-can melt. By removing the cladding before dissolution, the volume of glass waste is reduced by a factor of up to 300 times (when compared to not removing the cladding from the fuel). Other radioactive wastes from the process could be disposed of as Class A or Class B low-level waste. In addition to producing HALEU for advanced reactors, consumption of SNF would reduce DoE's environmental liability. Incorporating low-enriched spent fuel (versus exclusive use of LEU, DU, or NU) into the downblending scheme could reduce the SNF inventory even further. Several downblending and enrichment scenarios using INL fuels were investigated in this study. The results of this analysis show that the Hybrid ZIRCEX process could make a significant contribution to needed HALEU feedstock and reduce the environmental liability of managing SNF at INL. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

An experimental investigation of the effectiveness of Ar-CO 2 shielding gas mixture for the wire arc additive process

Wire arc additive manufacturing (AM) is the process by which a large, metallic structure is built layer-by-layer using a welding arc to melt a wire feedstock. A novel opportunity exists to alter the shielding gas composition to fabricate distinct geometrical features without altering the other AM parameters. In this paper, shielding gases with varied concentrations of Argon (Ar) and CO 2 was used to deposit three distinct geometric shapes (walls, infill, and overhang) using a wire-based additive manufacturing system utilizing the gas metal arc welding (GMAW) surface tension transfer (STT) process. Computer-aided design (CAD) models were sliced with a custom-built slicer, and the sliced algorithm was converted into optimal robotic toolpaths. A custom virtual instrument (VI) was built in LabVIEW to compare the temperature profiles on the surface during each deposition process. After each deposition, the geometric features were scanned, and the surface waviness value was evaluated. Tensile and Charpy impact coupons were extracted from the wall geometries in the longitudinal and transverse directions and tested. The results indicated that a higher CO 2 content produced higher melt pool temperatures to an extent, while lower contents of CO 2 resulted in a dimensionally accurate geometry. The data also indicated that the 2%/98% CO 2 /Ar blend produced scatter in tensile strength and the analysis of variance (ANOVA) shows significant difference. However, the intermediate range of CO 2 (5–10%) resulted in uniform tensile properties. Altogether, these results indicate that a 5%/95% CO 2 /Ar blend is the ideal shielding gas for lowering process temperatures and improving mechanical properties in wire arc additive manufacturing using the gas metal arc welding surface tension transfer process. Additionally, varying concentrations of Ar/CO 2 can be used within the same part in order to modify the local properties or process parameters such as strength, toughness, temperature, or dimensional features. This may improve overall manufacturing quality without sacrificing specific properties.

42 ENGINEERING↗

Additive manufacturing of metal matrix composites

Although Metal matrix composites (MMCs) are superior to most sought-after metallic alloys, their challenging fabricability has limited their widespread use in bulk-form applications. Among the many advanced fabrication techniques, Additive Manufacturing (AM), owing to its unique capabilities to produce near-net shapes, has drawn significant traction in the past two decades, especially for materials that are difficult to process using traditional methods. However, unlike pure metal/alloy systems, MMCs are highly sensitive to the processing conditions prevailing in AM techniques due to factors such as the high melting point of reinforcement particles and the potential for in-situ reactions. Therefore, it may be a while before metal matrix composites are commercially produced via AM. This review will discuss the current state-of-the-art design, fabricability, and performance of various additively manufactured MMCs. A particular focus will be on microstructural evolution and microstructure-property relationships. The most employed AM techniques, such as directed energy deposition, powder bed fusion, binder jetting, sheet lamination, and solid-state friction stir processing, are fundamentally different in terms of thermo-kinetics, forming the perspective for this review. A detailed comparison of microstructural evolution and process parameter optimization, including feedstock preparation methods and the role of machine learning and modeling among the different AM processes, is also presented. Finally, a critical evaluation of emerging AM technologies for MMCs is also provided, highlighting their potential advantages and challenges.

36 - MATERIALS SCIENCE↗

Managing Plant Microbiomes for Sustainable Biofuel Production

The development of environmentally sustainable, economical, and reliable sources of energy is one of the great challenges of the 21st century. Large-scale cultivation of cellulosic feedstock crops (henceforth, bioenergy crops) is considered one of the most promising renewable sources for liquid transportation fuels. However, the mandate to develop a viable cellulosic bioenergy industry is accompanied by an equally urgent mandate to deliver not only cheap reliable biomass but also ecosystem benefits, including efficient use of water, nitrogen, and phosphorous; restored soil health; and net negative carbon emissions. Thus, sustainable bioenergy crop production may involve new agricultural practices or feedstocks and should be reliable, cost effective, and minimal input, without displacing crops currently grown for food production on fertile land. In this editorial perspective for the Phytobiomes Journal Focus Issue on Phytobiomes of Bioenergy Crops and Agroecosystems, we consider the microbiomes associated with bioenergy crops, the effects beneficial microbes have on their hosts, and potential ecosystem impacts of these interactions. We also address outstanding questions, major advances, and emerging biotechnological strategies to design and manipulate bioenergy crop microbiomes. This approach could simultaneously increase crop yields and provide important ecosystem services for a sustainable energy future.

09 BIOMASS FUELS↗

PILOT PLANT EVALUATIONS OF RARE EARTH ELEMENT RECOVERY AND CONCENTRATION FROM PRE-COMBUSTION BITUMINOUS COAL SOURCES

Rare earths and other critical elements are commonly associated with coal-based sources and sometimes at concentrations that may be attractive for recovery as a byproduct of coal production. The results obtained from laboratory research performed during the past five years have led to the design, construction and testing of a pilot plant that recovered rare earth elements from several bituminous coal-based materials including coarse refuse as well as solutions from a small heap leach and acid mine drainage. From this initial design, rare earth oxide (REO) concentrates having a purity greater than 90% have been produced using solvent extraction as the primary means of concentration. Following cost reduction and process intensification efforts, the circuit was revised to include feed calcination and several selective precipitation stages as a substitute for the original direct leach-solvent extraction circuit. Pilot test results revealed that the modified circuit was ideal for treating the relatively low-grade feedstocks and provided similar final REO purities at a significantly lower cost. This communication will present the flowsheets evaluated in the pilot plant along with technical and economic analyses for each circuit.

Coal↗

Characterizing material transitions in large-scale Additive Manufacturing

Integrating Multiple Materials (MM) into large-scale Additive Manufacturing (AM) is a key for various industrial applications wishing to incorporate site-specific properties into geometrically complex designs that are difficult to manufacture with traditional techniques. Printing with multiple materials is typically accomplished by using layers as natural material boundaries, but having the capability to switch between materials within a single layer without pausing would further expand MM possibilities. This study used Cincinnati Incorporated’s Big Area Additive Manufacturing (BAAM) system to explore material transitions with a novel dual-hopper that enables in-situ material blending of a pelletized feedstock. Constructing MM and functionally graded material (FGM) structures requires depositing a specific material composition at a specific geometric location to achieve a desired performance. Furthermore, accurately implementing this with the BAAM’s blended extrusion system requires a thorough understanding of the transition between distinct material compositions. This study characterizes a step-change transition between neat acrylonitrile butadiene styrene (ABS) and carbon fiber-reinforced ABS. Three distinct techniques were compared for analyzing the fiber content, and the transition zone between materials was characterized as a function of transition direction. The transition process was consistent to within 0.7 wt% carbon fiber variation between different layers and prints. The transition between materials was found to be directionally dependent, with ABS to CF/ABS having a transition length of 3.5 m compared to 3.2 m for CF/ABS to ABS. Furthermore, the transition from Material A to Material B was found to be repeatable with a possible variance in transition length of 0.3 m.

36 MATERIALS SCIENCE↗

Recovery of Rare Earth Elements from Coal Mining Waste Materials

The objective of this proposed project was to locate coal overburden material that had rare earth elements (REEs) at concentrations of 300 ppm or higher. After securing the feedstock the next goal was to efficiently extract and purify the feedstocks to a purity of greater than 95%. A techno economic analysis was conducted to determine the economic viability of mining and processing REEs associated with Appalachian coal deposits. All aspects of mining, mineral processing, by-product potential, waste management, permitting and economics were examined. Attention was paid to the separation, degree of purification and marketing of Rare Earth elements. Along with REEs we evaluated the economics of the recovery of other metals of interest aong with the REEs. Our site location chosen was at the Jeddo Coal Site near Hazleton, Pennsylvania. The primary site was at the Upper Leigh High Mine. However, that changed to the North Eckley Mine site. We have analyzed a third site that will now be our second alternative to North Eckley. That site is the Highland mine site. This site is in a similar basin as the North Eckley site. During this project we evaluated various acids and extraction conditions. We have settled on using HCl as the acid of choice. One of the advantages of using HCl is it allows for easy removal of the highest contaminating metal, iron. When iron reacts with HCl in the presence of high chlorides it creates the anion complex FeCl 4 -1 . This FeCl 4 -1 complex will bind with an anion exchange resin. Greater than 99.8% of the iron is removed with this technique. Once the FeCl 4 -1 complex is bound to the anion exchange resin it can be released easily by just passing water over it. This water dilutes the FeCl 4 -1 to form FeCl 3 which is not anionic and therefore not attracted to the anion exchange resin. The FeCl 3 solution is a popular water flocculating agent used all over the world for water purification. We plan on this being one of our products produced. One of our goals was to create a multipurpose facility that was capable of handling multiple feedstocks. The proposed multipurpose facility will be able process all coal biproducts and coal products. These include 1.) clays that can easily be leached with ion exchange or acid 2.) Hard mineral deposits that can be leached with high pressure acid digestion 3.) Fly ash can be leached in the high-pressure acid digestion reactor. Fly ash is not a focus of this proposal but, the beneficial aspect of its utilization in this design cannot be overlooked. 4.) Acid Mine Drainage (AMD) Sludge is a high source of REE’s and can easily be dissolved to form a pregnant leach solution. Not shown on this simplified block flow diagram but crucial to its success is the recycle of acids. Our REE separation system is a continuous ion exchange process. The first stage is the separation of the non-REEs from the REEs. This is accomplished because the REEs are relatively larger than most of the non-REEs and typically have higher oxidation states (+3) than the non-REEs. In this step all the elements stick onto the column. However, as the columns are rinsed with various concentrations of acids different elements come off. For example, monovalent elements such as sodium and potassium elute off the column with a 1M HCl solution. Divalent elements such as calcium and magnesium do not elute until a 2M HCl solution is passed over the columns. The trivalent elements (REEs) are not eluted until a much higher concentrated acid is passed of the columns. Iron is also a trivalent, but it was removed in a prior anion exchange system. Aluminum is trivalent too, but it is much smaller than the REE atoms and elutes near the end of the 2 M HCl with the divalents. At the stage 2 and 3 our volume and masses have become too small to run on the continuous system. Therefore, we used a batch chromatography column or a flash chromatography column. The stage 2 process separates these REEs into 3 different fractions. A light, mid and heavy fraction. We calculated that we recovered greater than 90% of the REEs. This third column was packed with a different stationary phase. Five elements were chosen and purified to higher than 95% purity as shown by our internal testing. These elements were shipped to the DOE.

01 COAL, LIGNITE, AND PEAT↗

Summary of Biomass Scale Cubical Triaxial Tester Results

Hoppers are widely used biomass handling devices that channel bulk biomass from storage to subsequent handling equipment. Jenike’s longstanding approach, based on the Mohr-Coulomb model, has been successfully used to design hoppers handling cohesionless granular materials such as grains and other agricultural produces. However, designing a hopper to ensure reliable non-grain biomass flow is found to be challenging due to cohesion, irregular particle shape, and bulk material elastoplasticity. Forest Concepts developed a Cubical Triaxial Tester (CTT) to collect data necessary to determine constitutive model coefficients appropriate for particulate biomass materials. Over the course of three years, including hundreds of data sets with a focus on low-pressure ranges relevant to gravity hopper flow of biomass feedstocks, the Forest Concepts’ CTT has proven to be a reliable method to generate data that is otherwise difficult to obtain. Coefficients for three widely used constitutive material models, i.e., Mohr-Coulomb model, modified Cam-Clay model, and Drucker-Prager/Cap model, are reported. This work was supported in part by the US Department of Energy under contract DE-EE0008254.

09 BIOMASS FUELS↗