SEARCH · Engineering Papers
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
This presentation provides an overview of National Renewable Energy Laboratory and Argonne National Laboratory research as part of the pipeline blending CRADA (a HyBlend project) to the DOE's 2023 Annual Merit Review.
The electrochemical CO 2 or CO reduction to chemicals and fuels using renewable energy is a promising way to reduce anthropogenic carbon emissions. The gas diffusion electrode (GDE) design enables low-carbon manufacturing of target products at a current density (e.g., 500 mA cm –2 ) relevant to industrial requirements. However, the long-term stability of the GDE is restricted by poor water management and flooding, resulting in a significant hydrogen evolution reaction (HER) within almost an hour. The optimization of water management in the GDE demands a thorough understanding of the role of the gas diffusion layer (GDL) and the catalyst layer (CL) distinctively. In this work, the hydrophobicity of the GDL and CL is independently adjusted to investigate their influence on gas transport efficiency and water management. The gas transport efficiency is more enhanced with the increase in hydrophobicity of the GDL than the CL. Direct visualization of water distribution by optical microscope and micro-computed tomography demonstrates that the water flow pattern transfers from the stable displacement to capillary fingering as GDL hydrophobicity increases. Unfortunately, only increasing the hydrophobicity is not sufficient to prevent flooding. A revolutionary change in the design of the GDE structure is essential to maintain the long-term stability of CO 2 /CO reduction.
Affordable fossil-free ammonia synthesis will enable high-yield sustainable crop production for a growing world population while preserving the planet and making the best use of water and land. Simple technology amenable to intermittent operation using renewable energy will be made available through step catalysis activating dinitrogen at atmospheric pressure by nitride formation. Project objectives: (1) At the single particle level, quantify and analyze N2 activation by doped or alloyed manganese macroscopic- and nano particles at atmospheric pressure, (2) Quantify and analyze ammonia synthesis from doped or alloyed metal nitride particles when contacting them with hydrogen at atmospheric pressure, and (3) Integrate experimental data and atomic-level computational models to predict the behavior of metal alloys in nitrogen activation and subsequent ammonia synthesis.
The global energy demand is steadily increasing because of the population explosion and economic growth. Fossil fuels supply around 85 % of global primary energy demand. On one hand, fulfilling the increasing energy demands is a big challenge for the next few decades. On the other hand, the continued burning of fossil fuels leads to higher CO2 emissions, severely impacting global warming. Therefore, the policymakers vow to shift from conventional fuels to renewable resources for economic, environmental, and future energy security reasons. In this context, biofuels from lignocellulosic biomass and/or carbon-neutral fuels produced in the sustainable carbon cycle can close the carbon cycle and reach net zero-carbon emission. Recently, glycerol carbonate has been proposed as a promising fuel or fuel additive for future sustainability. Therefore, we investigated the hydrogen abstraction reactions of glycerol carbonate (GC) by OH radicals using high-level ab initio and variational transition state theory calculations. We mapped out the potential energy surface using the CCSD(T)/cc-pV(D, T)Z//MP2/cc-pVTZ level of theory. Here we used the ab initio parameters to obtain the site-specific rate coefficients by employing the variational transition state theory. We observed that every hydrogen atom in GC displays a unique reactivity with OH radicals. We derived branching ratio of each channel that are difficult to access experimentally. The overall rate coefficients exhibit a strong non-Arrhenius behaviour, which can be represented as: $k^{CVT/SCT}_{ov}$ (T) = 3.39 x 10 -20 x T 2.659 x e$\frac{-750.0 Jmol^{-1}}{RT}$ $\frac{cm^{3}}{molecule s}$ This is the first reported rate data for the glycerol carbonate and OH radicals reaction.
The need to fully utilize intermittent renewable energy and have energy security, large-scale batteries are necessary. The aqueous zinc–air battery (ZAB) is a promising potential candidate for its safety, low-cost, and theoretical capacity. This research on ZAB mainly focused on alkaline electrolytes. These are favored for their conductivity, but greatly reduce the stability of the battery by zinc corrosion from the hydrogen evolution reaction (HER), dendrite formation, and carbonate formation. To address these issues, recently neutral and near-neutral electrolytes have been applied to aqueous ZAB to suppress HER, dendrite formation, and minimize carbonate formation. These include the use of chloride-based, potassium nitrate, aqueous organic, solid-state electrolytes supplemented with additives to improve the performance and stability. This field is still young with significant opportunities available for research.
This presentation provides an overview of National Renewable Energy Laboratory and Argonne National Laboratory research as part of the pipeline blending CRADA (a HyBlend project) to the DOE's 2024 Annual Merit Review.
The Inaugural Symposium of the Institute for Sustainable Energy and Environment (ISEE) was held in Virginia Commonwealth University, Richmond, Virginia during April 26 – 28, 2023. The symposium addressed issues and challenges in energy and environment and highlighted the use of clean renewable energy to mitigate the adverse effects of fossil fuels and the greenhouse gases it produces. These issues are complex as the involve educating the public that the climate change is real, it is caused by the use of fossil fuels, it requires scientists and engineers to understand the fundamental science in the production and storage of renewable energy, it requires industries to manufacture and distribute the equipment necessary for commercial application of these technologies, it requires policy makers to put together policies and guidelines to make the transition from fossil fuels to renewable energies efficient, and it requires social scientists and educators to address environmental justice issues and create a workforce to sustain the transition. The symposium considered all the above issues with a diverse list of speakers from the federal and state government, industrial partners, and experts from science and technology to social sciences and public policy. Speakers from the White House Office of Science and Technology Policy, Department of Energy, universities, and non-governmental agencies discussed the challenges and solutions in Plenary as well as Panel sessions. The talks were recorded with permission from the speakers and the panelists and were put in the ISEE website. The participants included students, postdoctoral fellows, and professors from Virginia Commonwealth University and local area Historically Black College and Universities (HBCU) such as Virginia State University and Norfolk State University. The $5000 fund awarded by the Department of Energy were used to support the participation of students, postdoctoral fellows, and faculty from the HBCU institutions. The technical program the list of participants is provided later in the document.
Ethers are potential high-performance fuels that can be produced from renewable carbon sources such as biomass, but their combustion properties are not clearly understood. The cetane numbers (CN) for ethers, a measure of autoignition tendency, can range from less than 10 to greater than 100, and predictive tools based upon the molecular structures are desirable in order to focus fuel development research. In this study, we used molecular modeling, chemical kinetic modeling, and experimental measurements to understand the important reactions that lead to the autoignition of methylpropyl ether (MPE), a model for ethers containing alkyl chains long enough for intramolecular hydrogen transfer. These reactions are known to be important in the autoignition of alkanes and ethers and we propose to investigate the relationship between alkyl and ether reaction pathways. A reaction mechanism for MPE was created using MIT's Reaction Mechanism Generator (RMG) and G4 quantum calculation results and models were tested using the ChemKin Pro suite of software. Results from atmospheric pressure, flow tube reactor experiments and rapid compression machine (RCM) experiments were used to test the kinetic model and suggest refinements.
Starting in 2015 NREL has presented the Annual Technology Baseline (ATB) in an Excel workbook that contains detailed cost and performance data, both current and projected, for renewable and conventional technologies. The workbook includes a spreadsheet for each technology. This updated version of the workbook provides data for the 2020 ATB. In 2019 and 2020, NREL has also provided selected data in Tableau workbooks and structured summary csv files. A website documents this data at https://atb.nlr.gov .
Non-powered dams (NPDs) are dams that do not include hydraulic turbine (hydropower) equipment. Currently, there are more than 80,000 such dams in the United States, which provide a variety of non-energy benefits, including flood control, water supply, navigation, and recreation. Approximately 500 of these NPDs are identified as having the potential to add hydropower generation (totaling up to a capacity of more than 8200 MW). A large share of investment costs and environmental impacts of dam construction have already been incurred at these NPDs. Hence, adding power to the existing dam structure is hypothesized to be achieved at a lower cost, with less risk, and a shorter timeframe than the development required for new dam construction. The abundance of NPDs, the associated environmental favorability, and cost advantages, combined with the reliability, predictability, and dispatchability of hydropower, make NPDs a strong candidate in the nation’s renewable energy portfolio. To assess the NPD to hydropower conversion potential, in this study, we developed a GIS-based multi-criterial decision analysis tool, which allows users to rank these NPDs based on the grid, community, industry, and environmental impacts (i.e., GCIE impacts). This web-based interactive tool (developed using open-source Python and JavaScript) lets the user choose from a wide range of features to define each of the GCIE impact scores through a user-friendly graphical user interface. These features are related to dam operation, hydropower generation opportunity, power market economy, social vulnerability and risk, proximity to critical infrastructure and energy generating facilities, environmental concerns (air, water, and critical habitat), and exposure to natural hazards. The overall priority score of NPDs is calculated based on user-defined weights for each of the GCIE impact scores. Besides ranking NPDs, the tool can also be used to estimate the energy-storage feasibility (battery, hydrogen, and pump-storage hydropower) at each of the potential sites.
Efficient thermal energy storage is pivotal to lowering the levelized cost of electricity (LCOE) for Concentrating Solar Power (CSP) plants. In solid-particle systems, however, prolonged high-temperature service degrades particle solar absorptivity, eroding overall efficiency. This project demonstrates a hydrogen-assisted recovery process that reliably restores absorptivity to >90 %, offering a practical route to sustain long-term CSP performance. Bench-scale investigations mapped the reduction kinetics of optically faded particles across hydrogen concentrations, temperatures, and residence times. Coupling mass-spectrometric monitoring with machine-learning optimization minimized energy demand while maximizing absorptivity gain. The resulting process window—moderate hydrogen partial pressures, 15–30 min dwell times, and temperatures well below initial calcination levels—cuts energy consumption well below that of incumbent re-blackening methods. A prototype recovery reactor processed multiple 2 kg batches with repeatable outcomes, confirming scalability and operational robustness. Integrated techno-economic analysis indicates material and operating cost reductions exceeding 15 % relative to conventional particle replacement or chemical re-coating, translating directly into lower LCOE for next-generation CSP facilities. By uniting fundamental reaction-kinetics insight with pragmatic engineering, this work advances the solid-particle pathway, delivering a cost-effective, field-deployable solution to one of CSP’s key durability challenges and strengthening the commercial outlook for high-temperature renewable power.
Direct and selective production of C 3+ olefins from bioethanol remains a critical challenge and important for the production of renewable transportation fuels such as aviation biofuels. In this study, we report a Cu–Zn–Y/Beta catalyst for selective ethanol conversion to butene-rich C 3+ olefins (88% selectivity at 100% ethanol conversion, 623 K), where the Cu, Zn, and Y sites are all highly dispersed. The ethanol-to-butene reaction network includes ethanol dehydrogenation, aldol condensation to crotonaldehyde, and hydrogenation to butyraldehyde, followed by further hydrogenation and dehydration reactions to form butenes. Cu sites play a critical role in promoting hydrogenation of the crotonaldehyde C═C bond to form butyraldehyde in the presence of hydrogen, making this a distinctive pathway from crotyl alcohol-based ethanol-to-butadiene reaction. Reaction rate measurements in the presence of ethanol and acetaldehyde (543 K, 12 kPa ethanol, 1.2 kPa acetaldehyde, 101.9 kPa H 2 ) over monometallic Zn/Beta and Y/Beta catalysts indicate that Y sites have higher C–C coupling rates than over Zn sites (initial C–C coupling rate, 6.1 × 10 –3 mol mol Y –1 s –1 vs 1.2 × 10 –3 mol mol Zn –1 s –1 ). Further, Lewis-acidic Y-site densities over Cu–Zn–Y/Beta with varied Y loadings are linearly correlated with the initial C–C coupling rates, suggesting that Lewis-acidic Y sites are the predominant sites that catalyze C–C coupling in Cu–Zn–Y/Beta catalysts. Control experiments show that the dealuminated Beta support is important to form higher density of Lewis-acidic Y sites in comparison with other supports such as silica, or deboronated MWW despite similar atomic dispersion of Y sites and Y–O coordination numbers over these supports, leading to more than 9 times higher C–C coupling rate per mole Y over dealuminated Beta relative to other supports. This study highlights the significance of unique combination of metal sites in contributing to the selective valorization of ethanol to C 3+ olefins, motivating for exploring multifunctional zeolite catalysts, where the presence of multiple sites with varying reactivities and functions allows for controlling the predominant molecular fluxes toward the desired products in complex reactions.
The question of exogenous delivery of water and organics to Earth and other young planets is of critical importance for understanding the origin of Earth's volatiles, and for assessing the possible existence of exo-planets similar to Earth. Viewed from a cosmic perspective, Earth is a dry planet, yet its oceans are enriched in deuterium by a large factor relative to nebular hydrogen and analogous isotopic enrichments in atmospheric nitrogen and noble gases are also seen. Why is this so? What are the implications for Mars? For icy Worlds in our Planetary System? For the existence of Earth-like exoplanets? An exogenous (vs. outgassed) origin for Earth's atmosphere is implied, and intense debate on the relative contributions of comets and asteroids continues - renewed by fresh models for dynamical transport in the protoplanetary disk, by revelations on the nature and diversity of volatile and rocky material within comets, and by the discovery of ocean-like water in a comet from the Kuiper Belt (cf., Mumma & Charnley 2011). Assessing the creation of conditions favorable to the emergence and sustenance of life depends critically on knowledge of the nature of the impacting bodies. Active comets have long been grouped according to their orbital properties, and this has proven useful for identifying the reservoir from which a given comet emerged (OC, KB) (Levison 1996). However, it is now clear that icy bodies were scattered into each reservoir from a range of nebular distances, and the comet populations in today's reservoirs thus share origins that are (in part) common. Comets from the Oort Cloud and Kuiper Disk reservoirs should have diverse composition, resulting from strong gradients in temperature and chemistry in the proto-planetary disk, coupled with dynamical models of early radial transport and mixing with later dispersion of the final cometary nuclei into the long-term storage reservoirs. The inclusion of material from the natal interstellar cloud is probable, for comets formed in the outer solar system.
The integration of renewable energy sources into the modern grid introduces variability in generation, challenging nuclear reactors to remain economically viable amid low wholesale electricity prices. To address this, Idaho National Laboratory?s Flexible Plant Operation and Generation program explores alternative revenue streams, including commoditizing excess thermal energy. A Thermal Power Dispatch (TPD) system enables steam extraction from the secondary loop for industrial uses like hydrogen production via high-temperature steam electrolysis.
Sandia National Laboratories in collaboration with the National Renewable Energy Laboratory outline a framework for developing a solar fuels roadmap based on novel concepts for hybridizing gas-splitting thermochemical cycle s with high-temperature electro chemical steps. We call this concept SoHyTEC, a Solar Hybrid Thermochemical-Electrochemical Cycle. The strategy focuses on transforming purely thermochemical cycles that split water (H 2 O) and carbon dioxide (CO 2 ) to produce hydrogen (H 2 ) and carbon monoxide (CO) , respectively, the fundamental chemical building blocks for diverse fuels and chemicals , by substituting thermochemical reactions with high-temperature electrochemical steps. By invoking high-temperature electrochemistry, the energy required to complete the gas-splitting cycle is divided into a thermal component (process temperature) and an electrical component (applied voltage). These components, sourced from solar energy, are independently variable knobs to maximize overall process efficiency. Furthermore, a small applied voltage can reduce cycle process temperature by hundreds of degrees , opening the door to cost-effective solar concentrators and practical receiver/reactor de signs. Using the SoHyTEC concept as a backdrop, we outline a framework that advocates developing methods for automating information gathering, critically evaluating thermochemical cycles for adapting into SoHyTEC, establishing requirements based on thermodynamic analysis, and developing a model-based approach to benchmarking a SoHyTEC system against a baseline concentrating solar thermal integrated electrolysis plant. We feel these framework elements are a necessary precursor to creating a robust and adaptive technology development roadmap for producing solar fuels using SoHyTEC. In one example, we introduce high-temperature electrochemistry as a method to manipulate a fully stoichiometric two-step metal oxide cycle that circumvents costly separation processes and ultra-high cycle temperatures. We also identify and group water-splitting chemistries that are conceptually amenable to hybridization.
The National Energy Technology Laboratory (NETL) and OCO Chem (Participant) will collaborate in the development and scaling of electrochemical technologies that convert carbon dioxide (CO 2 ) into formic acid. This CO 2 -derived product is an industrially relevant chemical with various agricultural and industrial applications, as well as an emerging liquid hydrogen carrier 53 g of H 2 per liter. The use of formic acid as a liquid hydrogen carrier eliminates the challenges of long-distance H 2 transport and storage, which could lead to additional use as a precursor in the “green” energy and chemical sectors. Conventional formic acid production relies on carbon-intensive processes that use fossil fuel-derived starting materials. The collaboration will facilitate the deployment of technologies that convert captured CO 2 , water, and excess renewable electricity into carbon-neutral formic acid. The anticipated results will reduce the carbon footprint of conventional industrial processes, allow more sustainable use of our Nation’s fossil energy resources, and advance NETL’s ongoing CO 2 utilization efforts.
This study presents a life-cycle analysis (LCA) of the greenhouse gas (GHG) emissions of biodiesel (BD) and renewable diesel (RD) produced from soybean varieties with altered oil profiles and meal composition. The varieties evaluated include those with high oleic oil content (78% of oil being oleic oil vs. the current content of 25%), high lipid content (25% vs. the current content of 19%) or high protein content (45% vs. the current content of 35%). The results suggest that high-oleic soybean oil could reduce GHG emissions of RD by 1 g CO 2 e/MJ by reducing hydrogen consumption in the hydro-treating stage of RD production. With the default allocation method (mass-based allocation between oil and meal), changes in lipid and protein contents have negligible impacts on GHG emissions of BD/RD pathways. Since high-protein soybean meal has a higher nutrient value, we employed the market-based allocation for sensitivity analysis. Assuming a market price of $1.17/dry kg and an average of two substitute feeds with similar protein contents (corn gluten and fish meal), the allocation factor for soybean meal increases from 63 to 81%. Compared with the results for the case with commodity soybean using mass allocation, GHG emissions could be 1.9 and 1.8 g CO 2 e/MJ lower for BD and RD, respectively. In addition to product-level LCA, we employed a land-based LCA to evaluate the effect of soybean properties on product slates with the same land area and the associated displacement of conventional products. The results suggest that high-lipid soybeans may offer more GHG savings than other varieties as the higher BD/RD yield replaces more fossil diesel. © 2023 UChicago Argonne, LLC, Operator of Argonne National Laboratory and Northrup, Ag. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.
We report society is at a unique tipping point in a move from conventional fossil fuel based technologies to renewable sourced electrified technologies which can enable creating a carbon neutral or carbon negative energy economy. Many of the key approaches to achieving this transition in the critical areas of transportation, buildings and manufacturing depend on new materials and new approaches to rapidly increase electrification. This article reviews the overall energy landscape and highlights specific areas where new materials are critical to enabling transitions in energy storage, hydrogen utilization, transportation, buildings and the chemical industry and the articles on these topics that follow. How these transitions can be best integrated and the global societal impact of these transitions is also discussed. The development of new materials is instrumental in accelerating the move to a cleaner electrified society. The "electrification of everything" is increasingly important if we are to mitigate the adverse effects of climate change and materials will play a critical role realizing this goal.