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At least 1,027 records · Page 57

Translating a Material Discovery into a Commercial Product in the Modern Lithium-ion Battery Market

Lithium-ion batteries are essential for portable technology and are now poised to disrupt a century of combustion-based transportation. The electrification revolution could eliminate our reliance on fossil fuels and enable a clean energy future; advanced batteries would facilitate this transition. However, owing to the demanding performance, cost, and safety requirements, it is challenging to translate new materials from laboratory prototypes to commercial products. This Perspective describes that journey toward commercialization for a new lithium-ion battery anode material, TiNb2O7 (TNO). TNO is intended as an alternative to graphite or Li4Ti5O12 with better rate and safety characteristics than the former, and higher energy density than the latter. The high capacity of TNO stems from multielectron redox of Nb5+ to Nb3+, its operating voltage window well above Li+/Li reduction potential prevents lithium dendrite formation, and its open crystal structure leads to high-power performance. Nevertheless, the creation of a practical TNO anode was non-linear and non-trivial. Its history is built on 30 years on fundamental science that preceded its application as a battery, and its battery development included a nearly 30-year gap. The insights and lessons 2 contained in this Perspective, many of them acquired firsthand, serve two purposes: (i) to unite the disparate studies of TiNb2O7 into a coherent modern understanding relevant to its application as a battery material and (ii) to highlight some of the considerations of commercializing a new material that affect TiNb2O7 as well as new electrode candidates more generally.

Griffith, Kent J.↗

Potential Adoption and Benefits of Co-Optimized Multimode Engines and Fuels for U.S. Light-Duty Vehicles

Exploring a diverse portfolio of technologies for decarbonization is crucial to understanding the potential impacts of different technological solutions and their associated environmental implications. Using high-octane, high-sensitivity biofuel blends in co-optimized multimode engines can increase engine efficiency and reduce vehicle emissions. Here, the multimode engine research focuses on the benefits of light-duty vehicle engines, which can operate in multiple modes depending on the vehicle's load. Low-temperature combustion can improve efficiency and reduce emissions (such as those from oxides of nitrogen and particulate matter) during low-load operation, while spark ignition performance is maintained in high-load operation. These advanced engines can be optimized to run on blends of biobased fuels. This analysis models scenarios for potential market adoption of co-optimized multimode vehicles fueled by three different bioblendstocks: ethanol, isopropanol, and isobutanol. An integrated modeling approach is used to forecast the energy and environmental impacts of the deployment of co-optimized multimode vehicles and fuels in the light-duty sector over the 2020-to-2050 time horizon. The multidisciplinary approach combines vehicle sales modeling, system dynamics modeling of the biorefining industry, and life cycle assessment to estimate the emissions and energy benefits. The models consider market forces such as consumer preferences for vehicle attributes, biofuel supply and demand dynamics subject to biorefinery capacity build-out and bioresource constraints, and forecasted changes to the U.S. bulk energy system over time. Market adoption of co-optimized vehicles is evaluated across a wide parameter space for incremental vehicle cost and engine efficiency improvement. This analysis reveals that the deployment of co-optimized multimode fuels and vehicles results in up to a 5% reduction in annual sector-wide life cycle greenhouse gas (GHG) emissions by 2050, relative to a business-as-usual scenario, but is also indicates environmental trade-offs, such as higher life cycle water-use. Emission benefits could potentially increase beyond 2050, as the new technologies penetrate the market and gain a foothold. Results also show that, under certain circumstances, vehicles with engines co-optimized for use with high-octane, high-sensitivity biofuel blends can be cost-competitive with conventional gasoline, while reducing GHG emissions. Our modeling results indicate that co-optimized multimode fuels and engines can be strategically leveraged in tandem with electrification to decarbonize the light-duty sector. Co-optimized vehicles could play a role in the early years of the time horizon, while electric vehicles (EVs) could become more competitive in the later years, highlighting the complementary benefits of these technologies for GHG reductions.

Oke, Doris↗

Determination of Diffusion Profiles in Altered Wellbore Cement Using X-ray Computed Tomography Methods

The development of accurate, predictive models for use in determining wellbore integrity requires detailed information about the chemical and mechanical changes occurring in hardened Portland cements. X-ray computed tomography (XRCT) provides a method that can nondestructively probe these changes in three dimensions. Here, we describe a method for extracting subvoxel mineralogical and chemical information from synchrotron XRCT images by combining advanced image segmentation with geochemical models of cement alteration. The method relies on determining “effective linear activity coefficients” (ELAC) for the white light source to generate calibration curves that relate the image grayscales to material composition. The resulting data set supports the modeling of cement alteration by CO 2 -rich brine with discrete increases in calcium concentration at reaction boundaries. The results of these XRCT analyses can be used to further improve coupled geochemical and mechanical models of cement alteration in the wellbore environment.

15 GEOTHERMAL ENERGY↗

Stable Deuterium-Tritium plasmas with improved confinement in the presence of energetic-ion instabilities

Providing stable and clean energy sources is a necessity for the increasing demands of humanity. Energy produced by Deuterium (D) and Tritium (T) fusion reactions, in particular in tokamaks, is a promising path towards that goal. However, there is little experience with plasmas formed by D-T mixtures, since most of the experiments are currently performed in pure D. After more than 20 years, the Joint European Torus (JET) has carried out new D-T experiments with the aim of exploring some of the unique characteristics expected in future fusion reactors, such as the presence of highly energetic ions in low plasma rotation conditions. A new stable, high confinement and impurity-free D-T regime, with reduction of energy losses with respect to D, has been found. Multiscale physics mechanisms critically determine the thermal confinement. These crucial achievements importantly contribute to the establishment of fusion energy generation as an alternative to fossil fuels.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Catalytic reduction of CO 2 by H 2 for synthesis of CO, methanol and hydrocarbons: challenges and opportunities

Ocean acidification and climate change are expected to be two of the most difficult scientific challenges of the 21st century. Converting CO 2 into valuable chemicals and fuels is one of the most practical routes for reducing CO 2 emissions while fossil fuels continue to dominate the energy sector. Reducing CO 2 by H 2 using heterogeneous catalysis has been studied extensively, but there are still significant challenges in developing active, selective and stable catalysts suitable for large-scale commercialization. We study the catalytic reduction of CO 2 by H 2 can lead to the formation of three types of products: CO through the reverse water–gas shift (RWGS) reaction, methanol via selective hydrogenation, and hydrocarbons through combination of CO 2 reduction with Fischer–Tropsch (FT) reactions. In addition, investigations into these routes reveal that the stabilization of key reaction intermediates is critically important for controlling catalytic selectivity. Furthermore, viability of these processes is contingent on the development of a CO 2 -free H 2 source on a large enough scale to significantly reduce CO 2 emissions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Supercritical preparation of doped (111) facetted nickel oxide for the oxygen evolution reaction

Green hydrogen is of great interest as a replacement for traditional fossil fuels in a variety of energy applications. However, due to the poor kinetics present in the oxygen evolution reaction (OER) half-reaction, nanostructured catalysts are needed to reduce the reaction overpotential. Nickel oxide has previously been shown to be a promising alternative to expensive Pt-group based catalysts for the OER in alkaline media. Herein, facetted NiO nanosheets have been doped with Fe, Mn, or Co to reduce its catalytic overpotential for the OER. A supercritical synthesis process was used to promote the mass transport of the reactants while preserving catalytic surface area. Microscopy, diffraction, spectroscopy, and adsorption techniques were used to understand the morphological changes resulting from the inclusion of each dopant, as well as characterize the surface chemistry presented by the doped (111) facet. The pH was found to affect the properties of mixing due to difference in hydrolysis rates and catalysis of the hydrolysis/condensation. The dopants exhibited distinct effects on OER activity: Mn increased the overpotential to 742 mV vs. RHE, while Co and Fe reduced it to 502 mV and 457 mV, respectively. In summary, a straightforward and novel synthesis method is presented to prepare doped NiO(111) nanosheets, and their surface characteristics are explored to understand their varied electrochemical performances.

08 HYDROGEN↗

Modeling Multiphase Effects in CO 2 Compressors at Subcritical Inlet Conditions

An advanced numerical framework to model CO 2 compressors over a wide range of subcritical conditions is presented in this paper. Thermodynamic and transport properties are obtained through a table look-up procedure with specialized features for subcritical conditions. Phase change is triggered by the difference between the local values of pressure and saturation pressure, and both vaporization and condensation can be modeled. Rigorous validation of the framework is presented for condensation in high pressure CO 2 using test data in a De Laval nozzle. The comparisons between computations and test data include: condensation onset locations, Wilson line, and nozzle pressure profiles as a function of inlet pressures. The framework is applied to the Sandia compressor that has been modeled over broad range of conditions spanning the saturation dome including: near critical inlet conditions (305.4 K, and 7.843 MPa), pure liquid inlet conditions (at 295 K), pure vapor inlet conditions (at 302 K), and two-phase inlet conditions (at 290 K). Multiphase effects ranging from cavitation at the liquid line to condensation at the vapor line have been simulated. Here, the role of real fluid effects in enhancing multiphase effects at elevated temperatures closer to the critical point has been identified. The performance of the compressor has been compared with test data; the computational fluid dynamics (CFD) results also show that the head-flow coefficient curve collapses with relatively minor scatter, similar to the test data, when the flow coefficient is defined on the impeller exit meridional velocity.

14 SOLAR ENERGY↗

Blade Designs For Improved Multi-Phase Performance In sCO 2 Compressors; Part II - Optical Diagnostics In sCO 2 And Experimental Evaluation With Particle Image Velocimetry

This paper presents the second part of a study in which the leading-edge and suction surface of a compressor blade was modified to delay onset of phase change for sCO 2 compressors operating near the critical point. Using a first-of-its-kind apparatus for the measurement of sCO 2 flow fields, Particle Image Velocimetry (PIV) is used for local flow field measurements of two compressor blade geometries: the modified “biased-wedge,” and a conventional constant thickness blade. Utilizing the developed hardware, the feasibility of a simple, laser-based diagnostic for qualitatively measuring liquid phase regions, is also presented. The design of the optical diagnostics rig, a discussion of numerous challenges, and necessary considerations involved in performing optical-based measurements like PIV, in sCO 2 , are discussed. Velocity field measurements for the modified compressor profile show a much lower suction peak compared to a conventional blade. Furthermore, these results validate numerical results at the tested conditions, where the suction side profile of the biased wedge works to minimize the local pressure gradient.

14 SOLAR ENERGY↗

Hyperselective carbon membranes for precise high-temperature H 2 and CO 2 separation

More than 90% of the world’s hydrogen (H 2 ) is produced from fossil fuel sources, which requires energy-intensive separation and purification to produce high-purity H 2 fuel and to capture the carbon dioxide (CO 2 ) by-product. While membranes can decarbonize H 2 /CO 2 separation, their moderate H 2 /CO 2 selectivity requires secondary H 2 purification by pressure swing adsorption. Here, we report hyperselective carbon molecular sieve hollow fiber membranes showing H 2 /CO 2 selectivity exceeding 7000 under mixture permeation at 150°C, which is almost 30 times higher than the most selective nonmetallic membrane reported in the literature. The membrane is able to maintain an ultrahigh H 2 /CO 2 selectivity over 1400 under mixture permeation at 400°C. Pore structure characterization suggests that highly refined ultramicropores are responsible for effectively discriminating the closely sized H 2 and CO 2 molecules in the hyperselective carbon molecular sieve membrane. Modeling shows that the unprecedented H 2 /CO 2 selectivity will potentially allow one-step enrichment of fuel-grade H 2 from shifted syngas for decarbonized H 2 production.

Science & Technology - Other Topics↗

Multi-Scale Modeling of Hydrogen Transport in a Porous Fuel Cell Anode

Proton-exchange-membrane fuel cells (PEMFC) are a clean energy conversion alternative to traditional fossil-fuel combustion; however, transport resistances in the electrode pose a lower-limit to catalyst loading and commercialization of PEMFCs. PEMFCs consist of simultaneous hydrogen (H 2 ) oxidation and oxygen (O 2 ) reduction at the anode and cathode, respectively. Here, while oxygen transport resistances in PEMFCs have been widely studied both experimentally and analytically, hydrogen transport resistances are less understood. Herein, we present a physics-based model that encompasses multi-scale transport within the anode side of the PEMFC. The O 2 in the cathode here is omitted and replaced with H 2 to deconvolute O 2 transport resistance contributions, similar to that of a hydrogen pump. Replication of the hydrogen pump setup allows for comparison of the model against experimental analysis of H 2 gas-transport resistance in H 2 limiting-current experiments, which can also inform gas transport (including oxygen) in general. Herein, we present a multi-scale analytical model of the porous anode catalyst layers and individual catalyst agglomerates that enables determination of the effects of electrode morphology such as agglomerate size, catalyst loading, etc. on H 2 transport resistance through the porous electrode to complement and better understand H 2 limiting current experiments and deconvolute local H 2 transport resistances.

Zhang, Rosa↗

The electrification of energy: Long-term trends and opportunities

Here, we present and analyze three powerful long-term historical trends in energy, particularly electrical energy, as well as the opportunities and challenges associated with these trends. The first trend is from a world containing a diversity of energy currencies to one whose predominant currency is electricity, driven by electricity’s transportability, exchangeability, and steadily decreasing cost. The second trend is from electricity generated from a diversity of sources to electricity generated predominantly by free-fuel sources, driven by their steadily decreasing cost and long-term abundance. These trends necessitate a just-emerging third trend: from a grid in which electricity is transported unidirectionally, traded at near-static prices, and consumed under direct human control; to a grid in which electricity is transported bidirectionally, traded at dynamic prices, and consumed under human-tailored artificial agential control. These trends point toward a future in which energy is not costly, scarce, or inefficiently deployed but instead is affordable, abundant, and efficiently deployed; with major economic, geo-political, and environmental benefits to humanity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Preliminary Feasibility of Value-Added Products from Cogeneration and Hybrid Energy Systems in Wyoming

Wyoming has a wealth of primary energy resources in the forms of coal, natural gas, wind, uranium, and oil shale. Most of Wyoming's coal and gas resources are exported from the state in unprocessed form rather than as refined higher value products. Wyoming's leadership recognizes the opportunity to broaden the state’s economic base energy resources to make value-added products such as synthetic vehicle fuels and commodity chemicals. Producing these higher value products in an environmentally responsible manner can benefit from the use of clean energy technologies including Wyoming’s abundant wind energy and nuclear energy such as new generation small modular reactors including the high temperature gas-cooled reactors. The Wyoming Business Council (WBC), under direction from the State’s Legislature, commissioned the Idaho National Laboratory (INL) to complete evaluations of selected energy futures for Wyoming, focusing specifically on the benefits of hybrid energy systems that would take advantage of all of the state’s energy resources. This work was accomplished by two complementary activities. First, a collaborative effort of the Wyoming Business Council, tire University of Wyoming and the Idaho National Laboratory focused on screening-level analysis of a range of hybrid energy systems using new small modular nuclear reactors for the conversion of coal and natural gas into synthetic fuels and commodity chemicals in configurations designed to also stabilize wind power generation. This report summarizes the outcome of this first activity. Second, a more rigorous analysis led by the NGNP Industry Alliance in collaboration with the Idaho National Laboratory to evaluate the application of the high temperature, gas-cooled nuclear reactor (HTGR) to enhance coal and natural gas conversion to higher value products and electrical power. The results, conclusions, and recommendations of the HTGR applications work are presented in INL/EXT-12-26732, Energy Development Opportunities for Wyoming. The conclusions of these evaluations provide a conceptual foundation upon which Wyoming can form a partnership with industry to lay out a strategy and plan of action that can develop leading to a state-wide energy economy.

10 SYNTHETIC FUELS↗

Radiocarbon as a Reactive Tracer for Tracking Permanent CO 2 Storage in Basaltic Rocks

In view of concerns about the long-term integrity and containment of CO 2 storage in geologic reservoirs, many efforts have been made to improve the monitoring, verification and accounting methods for geologically stored CO 2 . Our project aimed to demonstrate that carbon-14 ( 14 C) could be used as a reactive tracer to monitor geochemical reactions and evaluate the extent of mineral trapping of CO 2 in basaltic rocks. The capacity of a storage reservoir for mineral trapping of CO 2 is largely a function of host rock composition. Mineral carbonation involves combining CO 2 with divalent cations including Ca 2+ , Mg 2+ and Fe 2+ . The most abundant geological sources for these cations are basaltic rocks. Based on initial storage capacity estimates, we know that basalts have the necessary capacity to store million to billion tons of CO 2 via in situ mineral carbonation. However, little is known about CO2-fluid-rock reactions occurring in a basaltic storage reservoir during and post-CO 2 injection. None of the common monitoring and verification techniques have been able to provide a surveying tool for mineral trapping. The most direct method for quantitative monitoring and accounting involves the tagging of the injected CO 2 with 14C because 14C is not present in deep geologic reservoirs prior to injection. Accordingly, we conducted two CO 2 injection tests at the CarbFix pilot injection site in Iceland to study the feasibility of 14C as a reactive tracer for monitoring CO 2 -fluid-rock reactions and CO 2 mineralization. Our newly developed monitoring techniques, using 14C as a reactive tracer, have been successfully demonstrated. For the first time, permanent and safe disposal of CO 2 as environmentally benign carbonate minerals in basaltic rocks could be shown. Over 95% of the injected CO 2 at the CarbFix pilot injection site was mineralized to carbonate minerals in less than two years after injection. Our monitoring results confirm that CO 2 mineralization in basaltic rocks is far faster than previously postulated.

01 COAL, LIGNITE, AND PEAT↗

Enhanced Passive Cooling for Waterless-Power Production Technologies

Recent advances in the literature and at SNL indicate the strong potential for passive, specialized surfaces to significantly enhance power production output. Our exploratory computational and experimental research indicates that fractal and swirl surfaces can help enable waterless-power production by increasing the amount of heat transfer and turbulence, when compared with conventional surfaces. Small modular reactors, advanced reactors, and non-nuclear plants (e.g., solar and coal) are ideally suited for sCO2 coolant loops. The sCO2 loop converts the thermal heat into electricity, while the specialized surfaces passively and securely reject the waste process heat in an environmentally benign manner. The resultant, integrated energy systems are highly suitable for small grids, rural areas, and arid regions.

14 SOLAR ENERGY↗

Low-Cost Recuperative Heat Exchanger for Supercritical Carbon Dioxide Power Systems (Final Scientific/Technical Report)

Closed Brayton super-critical CO 2 power cycles are well suited to waste heat bottoming cycles, due to their increased efficiency and compactness, relative to Rankine steam bottoming cycles. Since waste heat applications would be retrofits, the power system compactness is important. To achieve high efficiency, these power cycles require high pressure recuperative type heat exchangers, of substantial heat duty. Current Printed Circuit Heat Exchangers (PCHE), originally developed for high pressure gas and oil applications, can be used as recuperators, but costs are higher than desired. Altex is developing a purpose-built high pressure and effectiveness recuperator to provide the reliability, compactness, performance and pressure capability of current recuperators, but at a reduced cost. The High Effectiveness Low Cost (HELC) recuperative heat exchanger design yields volume and weight metrics of .0024 m 3 /UA and 10.2 kg/UA, which are 4% and 77.3% below recuperator target metrics, respectively. A 50 kW test article was designed and fabricated. Performance tests on water and oil showed that the HELC design model could predict heat transfer, to within 10% of the measured value. This model was then used to project HELC performance, when operating on supercritical CO 2 . Besides performance tests, the test article was hydrostatically tested, for integrity at up to 4,000 psi pressure. At these conditions, some distortion of channels was encountered. To mitigate distortion, the inserts were redesigned and these results were used to project the cost of 500 kW and 5,083 kW HELC units. The cost metric for the 5,083 kW unit was determined to be $\$ $1,349/UA, which is 10% lower than the recuperator desired cost metric desired target of $\$ $1,500/UA. In addition, the 5,083 kW unit HELC cost of $\$ $61.09/kW is 33.6% lower than the $\$ $92/kW estimated cost for a PCHE. Hydrostatic pressure tests, at up to 4,000psi, showed that the unit did not leak. However, channels were distorted at this pressure differential. Design updates to minimize stress concentrations and distortion were prepared and analyzed, to show that distortion could be controlled, but to date tests have not been run to prove the design. Project results show the potential of the HELC approach, but more work is required to confirm this potential, at the larger scales of interest.

14 SOLAR ENERGY↗

Technology Development for Modular, Low-Cost, High-Temperature Recuperators for Supercritical CO 2 Power Cycles (Final Report)

The program’s focus was to evaluate, advance, and demonstrate recuperator design concepts, materials, and fabrication methods that facilitate the commercial availability of compact and low-cost recuperators. Emphasis was placed on recompression closed Brayton cycles having a turbine inlet temperature exceeding 700°C and differential pressures on the order of 200 bar and were scalable to accommodate plant sizes from 10 to 1,000 MWe. The primary objectives of the first budget period, which included conceptual design, preliminary development, and prototype fabrication and testing, were accomplished. A new recuperator design concept, stacked-sheet heat exchanger (SSHX), was realized during the project. The design was taken from paper to hardware and successfully tested. The SSHX prototype recuperator met or exceeded program thermal, hydraulic and performance/cost metrics goals. The first budget period was extended to retire risk in scaling the recuperator from the kWt to MWt thermal capacity scale. The fabrication and design requirements for the budget period one extension were met. Delays associated with the Covid-19 pandemic prevented the fabrication and testing of the industrial scale prototype.

14 SOLAR ENERGY↗

High-temperature thermal energy storage with thermophotovoltaic energy conversion (Final Report)

This project began with a simple concept: that thermal energy storage paired with thermophotovoltaic power conversion could be a cost-effective solution to the challenge of renewables variability. Renewable energy sources such as solar and wind energy are clean, affordable, and abundant worldwide, but their variability presents a major problem for the incorporation of a large amount of these resources in global power systems. Systems with high penetrations of renewables frequently see periods of overproduction, where renewable energy is thrown away, and periods of underproduction, where expensive and polluting fossil fuel resources must be used to fill in the gaps. While energy storage technologies such as lithium ion batteries can help store energy from times of overproduction to times the energy is needed, current and projected future prices for these technologies are not low enough to support very renewables-heavy power grids. The research also focused on the techno-economics of using thermal energy storage and thermophotovoltaics to store the energy from solar and wind energy sources when they are available and release this energy back to the grid when it is needed. One of the biggest outcomes of this research was the conclusion that battery prices must drop 10x from their current values in order to meet this need, and this is unlikely to happen with current technologies such as lithium ion batteries.

14 SOLAR ENERGY↗