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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 397 records · Page 22

Bioinspired mineralizing microenvironments generated by liquid-liquid phase coexistence

Biominerals such as bones, teeth and shells exhibit improved mechanical properties and intricate morphologies not seen in nonbiologically-produced minerals of ostensibly the same composition. These remarkable properties of biogenic minerals are thought to arise due to precise local control over the mineral deposition process, including organic and inorganic inclusions. Understanding how Biology controls the local reaction environment during formation of these materials to control their composition, structure, and properties is a grand challenge that promises to enable new routes to high-performance materials. This project developed multi-compartment bioinspired microreactors as artificial mineralizing vesicles, and used them to understand and control formation of inorganic/organic composite solid materials. A major emphasis was on developing all-aqueous emulsions in which each droplet was a structured microreactor with two or more adjacent phases. This approach provided local control over reaction environment including availability of inclusions such as polypeptides and metal ions, while being sufficiently simple to produce large populations of essentially identical multiphase reactor droplets simultaneously within a batch. Organic/inorganic composite materials could be produced with very high organic content that stabilized the inorganic portions as amorphous materials (e.g., amorphous calcium carbonate) by preventing the typical conversion to more thermodynamically crystalline forms (e.g., calcite). These stabilized amorphous composites could be stored indefinitely and converted to crystalline forms later by removal of the organic inclusions via, for example, heating. Compositional gradients in the organic and inorganic components were embedded during synthesis due to the evolution of the reaction microenvironment, and despite the complexity of this process it occurred similarly across the population of reactive droplets and was hence encoded into the population of resulting composite particles. The approach developed here allows pre-structuring of reactive microenvironments to control the spatiotemporal reaction environment, which is an important step towards rational design and on-demand production of complex functional materials with desired composition, optical properties, and mechanical response.

36 MATERIALS SCIENCE↗

An Intensified Electro-Catalytic Process for Production of Formic Acid from Power Plant CO 2 Emissions (Final Technical Report)

The goal of this project was to develop and test a novel electro-catalytic method for the production of high-value formic acid from coal-derived CO 2 as a strategy to offset the cost of CO 2 capture. Formic acid is currently produced from the conversion of higher-order carbon products such as methane and/or methanol. This electro-catalytic CO 2 reduction process utilizes a highly selective catalyst in a flow-through reactor design to maximize the formic acid production rate. The specific objectives of this proposed study were to; 1) produce and screen highly selective engineered CO 2 reducing catalysts capable of exclusively producing formic acid; 2) immobilize the catalyst within a flow process to continually produce formic acid and increase catalyst lifetime; and 3) assess the stability of the electrocatalyst during long-term operation. The project involved the development and testing of an engineered catalyst to selectively reduce CO 2 directly and exclusively to formic acid. After the best-performing catalyst was selected, it was immobilized and tested inside a flow-through reactor at UK CAER using realistic conditions expected from CO 2 produced during coal combustion and separated by a CO 2 capture plant.

01 COAL, LIGNITE, AND PEAT↗

Optimal operations of a nuclear-based integrated energy system: A mixed integer program approach

A nuclear-based integrated energy system (IES), consisting of multiple carbon-free energy generation and conversion technologies to meet heterogeneous end-use demands, offers a promising approach to decarbonizing the U.S. economy. Operating such an IES is challenging due to its complexity and the diverse end-use demands, such as heating and electricity. This paper aims to address the optimal operation of an IES composed of a small modular reactor (SMR), a steam manifold, a balance of plant (BOP), a high-temperature steam electrolysis (HTSE) system, a district heating (DH) network, and electrical grids. We formulate the system’s operation as a mixed integer linear programming (MILP) problem to maximize net revenues from sales of electricity and hydrogen. To evaluate the efficacy of the proposed model, we conduct a 24-hour simulation considering day-ahead (DA) electricity prices from CAISO and a varying DH demand profile with hourly resolution. The simulation results show that our model effectively optimizes the operation by selling electricity during on-peak periods and purchasing electricity for hydrogen production during off-peak periods, while satisfying operating constraints within the IES.

08 HYDROGEN↗

Unlocking Mesoscopic Disorder in Graphitic Carbon with Spectroelectrochemistry

Intrinsic structural and oxidic defects activate graphitic carbon electrodes towards electrochemical reactions underpinning energy conversion and storage technologies. Yet, these defects can also disrupt the long-range and periodic arrangement of carbon atoms, thus, the characterization of graphitic carbon electrodes necessitates in-situ atomistic differentiation of graphitic regions from mesoscopic bulk disorder. Here, we leverage the combined techniques of in-situ attenuated total reflectance infrared spectroscopy and first-principles calculations to reveal that graphitic carbon electrodes exhibit electric-field dependent infrared activity that is sensitive to the bulk mesoscopic intrinsic disorder. With this platform, we identify graphitic regions from amorphous domains by discovering that they demonstrate opposing electric-field-dependent infrared activity under electrochemical conditions. Our work provides a roadmap for identifying mesoscopic disorder in bulk carbon materials under potential bias.

Disordered graphitic carbon electrodes↗

Alkaline Ethanol Oxidation Reaction on Carbon Supported Ternary PdNiBi Nanocatalyst using Modified Instant Reduction Synthesis Method

Direct ethanol fuel cells (DEFC) still lack active and efficient electrocatalysts for the alkaline ethanol oxidation reaction (EOR). In this work, a new instant reduction synthesis method was developed to prepare carbon supported ternary PdNiBi nanocatalysts with improved EOR activity. Synthesized catalysts were characterized with a variety of structural and compositional analysis techniques in order to correlate their morphology and surface chemistry with electrochemical performance. The modified instant reduction synthesis results in well-dispersed, spherical Pd85Ni10Bi5 nanoparticles on Vulcan XC72R support (Pd85Ni10Bi5/C(II-III)), with sizes ranging from 3.7 +/- 0.8 to 4.7 +/- 0.7 nm. On the other hand, the common instant reduction synthesis method leads to significantly agglomerated nanoparticles (Pd85Ni10Bi5/C-(I)). EOR activity and stability of these three different carbon supported PdNiBi anode catalysts with a nominal atomic ratio of 85:10:5 were probed via cyclic voltammetry and chronoamperometry using the rotating disk electrode method. Pd85Ni10Bi5/C-(II) showed the highest electrocatalytic activity (150 mA.cm(-2); 2678 mA.mg(-1)) with low onset potential (0.207 V) for EOR in alkaline medium, as compared to a commercial Pd/C and to the other synthesized ternary nanocatalysts Pd85Ni10Bi5/C-(I) and Pd85Ni10Bi5/C-(III). This new synthesis approach provides a new avenue to developing efficient, carbon supported ternary nanocatalysts for future energy conversion devices. The modified instant reduction method for synthesis of ternary Pd85Ni10Bi5/C-(II) nanocatalyst using Vulcan XC72R as carbon support initiates an agglomeration reduction, provides low average particle size, and enables enhanced activity for the alkaline ethanol oxidation reaction (EOR) compared to the common instant reduction method and to a commercial Pd/C catalyst.

Alkaline direct ethanol fuel cell↗

The Power of Being Negative: Producing H2 and Sequestered Carbon from Biomass and Waste Resources

Hydrogen can serve as an enabler for decarbonizing our economy, especially for the transportation, manufacturing, and chemicals sectors. Low-carbon H2 can be generated through a number of pathways, including (1) steam methane reforming coupled with carbon capture and sequestration, (2) water electrolysis utilizing renewable electricity, (3) methane pyrolysis, and (4) biomass and waste conversion. However, only the biomass and waste conversion pathway offers a route to carbon-negative H2 when coupled with carbon capture and sequestration (CCS), thus providing both a service to our environment through carbon dioxide removal from the atmosphere and a valuable downstream product in H2.

biomass↗

Carbon Nanotube Formation on Cr-Doped Ferrite Catalyst during Water Gas Shift Membrane Reaction: Mechanistic Implications and Extended Studies on Dry Gas Conversions

A nanocrystalline chromium-doped ferrite (FeCr) catalyst was shown to coproduce H2 and multiwalled carbon nanotubes (MWCNTs) during water gas shift (WGS) reaction in a H2-permselective zeolite membrane reactor (MR) at reaction pressures of ~20 bar. The FeCr catalyst was further demonstrated in the synthesis of highly crystalline and dimensionally uniform MWCNTs from a dry gas mixture of CO and CH4, which were the apparent sources for MWCNT growth in the WGS MR. In both the WGS MR and dry gas reactions, the operating temperature was 500 °C, which is significantly lower than those commonly used in MWCNT production by chemical vapor deposition (CVD) method from CO, CH4, or any other precursor gases. Extensive ex situ characterizations of the reaction products revealed that the FeCr catalyst remained in partially reduced states of Fe3+/Fe2+ and Cr6+/Cr3+ in WGS membrane reaction while further reduction of Fe2+ to Fe0 occurred in the CO/CH4 dry gas environments. The formation of the metallic Fe nanoparticles or catalyst surface dramatically improved the crystallinity and dimensional uniformity of the MWCNTs from dry gas reaction as compared to that from WGS reaction in the MR. Reaction of the CO/CH4 mixture containing 500 ppmv H2S also resulted in high-quality MWCNTs similar to those from the H2S-free feed gas, demonstrating excellent sulfur tolerance of the FeCr catalyst that is practically meaningful for utilization of biogas and cheap coal-derived syngas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Oxo dicopper anchored on carbon nitride for selective oxidation of methane

Abstract Selective conversion of methane (CH 4 ) into value-added chemicals represents a grand challenge for the efficient utilization of rising hydrocarbon sources. We report here dimeric copper centers supported on graphitic carbon nitride (denoted as Cu 2 @C 3 N 4 ) as advanced catalysts for CH 4 partial oxidation. The copper-dimer catalysts demonstrate high selectivity for partial oxidation of methane under both thermo- and photocatalytic reaction conditions, with hydrogen peroxide (H 2 O 2 ) and oxygen (O 2 ) being used as the oxidizer, respectively. In particular, the photocatalytic oxidation of CH 4 with O 2 achieves >10% conversion, and >98% selectivity toward methyl oxygenates and a mass-specific activity of 1399.3 mmol g Cu −1 h −1 . Mechanistic studies reveal that the high reactivity of Cu 2 @C 3 N 4 can be ascribed to symphonic mechanisms among the bridging oxygen, the two copper sites and the semiconducting C 3 N 4 substrate, which do not only facilitate the heterolytic scission of C-H bond, but also promotes H 2 O 2 and O 2 activation in thermo- and photocatalysis, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-performance room-temperature sodium–sulfur battery enabled by electrocatalytic sodium polysulfides full conversion

Room-temperature sodium–sulfur (RT-Na–S) batteries are highly desirable for grid-scale stationary energy storage due to their low cost; however, short cycling stability caused by the incomplete conversion of sodium polysulfides is a major issue for their application. Herein, we introduce an effective sulfiphilic host, gold nanodots decorated on hierarchical N-doped carbon microspheres (CN/Au/S), to achieve completely reversible conversion reactions in the S cathode by electrocatalyzing the low-kinetics conversion of Na 2 S 4 into NaS 2 (discharge process) or S (charge process). Besides, gold nanodots and N-doped carbon can increase the conductivity of the S cathode and provide strong polar–polar adsorption of sodium polysulfides to alleviate the shuttling effects. When serving as the cathode, the CN/Au/S composite can realize enhanced sulfur utilization, excellent cycling stability, and outstanding rate capability. This work deepens our understanding of the catalytic effect of gold atoms on sulfur molecules, opening a new avenue for cathode design and development of advanced RT-Na–S batteries.

25 ENERGY STORAGE↗

Advances in Carbon Capture and Use (CCU) Technologies: A Comprehensive Review and CO2 Mitigation Potential Analysis

One of society’s major current challenges is carbon dioxide emissions and their consequences. In this context, new technologies for carbon dioxide (CO2) capture have attracted much attention. One of these is carbon capture and utilization (CCU). This work focuses on the latest trends in a holistic approach to carbon dioxide capture and utilization. Absorption, adsorption, membranes, and chemical looping are considered for CO2 capture. Each CO2 capture technology is described, and its benefits and drawbacks are discussed. For the use of carbon dioxide, various possible applications of CCU are described, starting with the utilization of carbon dioxide in agriculture and proceeding to the conversion of CO2 into fuels (catalytic processes), chemicals (photocatalytic processes), polymers, and building supplies. For decades, carbon dioxide has been used in industrial processes, such as CO2-enhanced oil recovery, the food industry, organic compound production (such as urea), water treatment, and, therefore, the production of flame retardants and coolants. There also are several new CO2-utilization technologies at various stages of development and exploitation, such as electrochemical conversion to fuels, CO2-enhanced oil recovery, and supercritical CO2. At the end of this review, future opportunities are discussed regarding machine learning (ML) and life cycle assessment (LCA).

Peres, Christiano B.↗

All Electrospray Printing of Carbon–Based Cost–Effective Perovskite Solar Cells

With the power conversion efficiencies of PSCs exceeding 25%, the perovskite solar cells (PSCs) are closer to step into the initial industrialization. Prior to transferring from laboratory fabrication to industrial manufacturing, issues such as scalability, materials cost, and production line compatibility that significantly impact the manufacturing remain to be addressed. Here we report breakthroughs on all these fronts. Carbon-based PSCs with architecture FTO/electron transport layer/perovskite/carbon, that eliminate the need for the hole transport layer and noble metal electrode, provide ultra-low-cost configuration. This PSC architecture was manufactured using a scalable and industrially compatible electrospray (ES) technique, which enables continuous printing of all the cell layers. The ES deposited electron transport layer and perovskite layer exhibited properties comparable to that of the laboratory-scale spin coating method. The ES deposited carbon electrode layer exhibited superior conductivity and interfacial microstructure in comparison to films synthesized using the conventional doctor blading technique. As a result, the fully ES printed carbon-based PSCs showed a record 14.41% power conversion efficiency, rivaling the state-of-the-art hole transporter-free PSCs. Furthermore, these results will immediately have an impact on the scalable production of PSCs.

14 SOLAR ENERGY↗

Characterization of CO2 Binding on Alkaline Metal Oxide Sorbents and DFMs for Combined Capture and Conversion

As the world endures environmental crises associated with climate change and the rise of atmospheric CO2 concentrations from anthropogenic CO2 emission, carbon capture and utilization (CCU) technologies are increasingly necessary. Reactive carbon capture (RCC) technologies, in which capture and conversion of CO2 occur in a single reactor, are more energetically and economically attractive by avoiding the need to purify, compress, and transport the captured CO2. To this end, the development of dual function materials (DFM) that enable CO2 capture and conversion to useful C1 products, namely (1) methane, (2) CO, and (3) methanol, are attractive near-term targets for commercial CCU processes for renewable fuels and chemicals. DFM are composed of sorbents and catalysts co-dispersed on the same high surface area carrier. The sorbent component allows for selective capture of CO2 from a gas stream and the catalyst component subsequently performs the in-situ conversion of the adsorbed CO2 upon introduction of a reactive gas (typically H2). The survey of DFM formulations reveals a variety of sorbent+catalyst combinations of interest. There is, however, a lack of depth in fundamental understanding of how the CO2 binds to these materials and how the subsequent reaction mechanisms are affected, which are critical features for the development of next-generation materials with improved performance. To this end, we will describe in this work the CO2 binding characteristics of established and/or new DFM and their sorbent-only counterparts. The surface CO2 binding mechanism and capture capacity will be probed using techniques such as in-situ DRIFTS, operando TGA, and CO2 chemisorption.

alkaline oxides↗

Precursor Processing Development for Low Cost, High Strength Carbon Fiber for Composite Overwrapped Pressure Vessel Applications

Carbon fiber (CF) is central to produce lightweight, high pressure, composite overwrapped pressure vessels (COPVs), which are used for on-board storage of hydrogen for fuel cell vehicles. In 2015, carbon fiber cost accounted for 62% of the cost of a hydrogen storage system, as COPVs were manufactured with T700S CF at $\$ $29.40/kg CF. The high cost of hydrogen storage, largely attributed to the carbon fiber cost, limits the application of fuel cells in vehicles. Therefore, our team endeavored to develop fiber processing to demonstrate carbon fiber tensile properties similar to T700S with a production cost potential of $\$ $12.60/kg or less. Here, the overarching goal of the project was the development of low cost, high strength carbon fiber for composite overwrapped pressure vessels. Within the project, our team investigated a new low-cost, high-volume, high quality polyacrylonitrile (PAN)-based precursor terpolymer for the production of carbon fiber precursors, methods for increasing water and energy use efficiency in wash-water/solvent separation, and ultimately developed a multifilament spinning and conversion process for the production of hollow carbon fibers from a segmented arc spinneret utilizing a solution spinning method.

08 HYDROGEN↗

Midwest US Croplands Determine Model Divergence in North American Carbon Fluxes

Large uncertainties in North American terrestrial carbon fluxes hinder regional climate projections. Terrestrial biosphere models (TBMs), the essential tools for understanding continental-scale carbon cycle, diverge on whether temperate forests or croplands dominate carbon uptake in North America. Evidence from novel photosynthetic proxies, such as those based on chlorophyll fluorescence, has cast doubt on the “weak cropland, strong forest” carbon uptake patterns simulated by most TBMs. However, no systematic evaluation of TBMs has yet been attempted to pin down space-time patterns that are most consistent with regional CO 2 observational constraints. Here, we leverage atmospheric CO 2 observations and satellite-observed photosynthetic proxies to understand emergent space-time patterns in North American carbon fluxes from a large suite of TBMs and data-driven models. To do so, we evaluate how well the atmospheric signals resulting from carbon flux estimates reproduce the space-time variability in atmospheric CO 2 , as is observed by a network of continuous-monitoring towers over North America. Models with gross or net carbon fluxes that are consistent with the observed CO 2 variability share a salient feature of growing-season carbon uptake in Midwest US croplands. Conversely, the remaining models place most growing-season uptake in boreal or temperate forests. Differences in model explanatory power depend mainly on the simulated annual cycles of cropland uptake—especially, the timing of peak uptake—rather than the distribution of annual mean fluxes across biomes. Our results suggest that improved model representation of cropland phenology is crucial to robust, policy-relevant estimation of North American carbon exchange.

54 ENVIRONMENTAL SCIENCES↗

Carbonation of Alkaline Earth Metal Hydroxides: Structure across Nano- to Mesoscales

The conversion of gaseous CO 2 into a solid constitution through mineralization is an active area of carbon capture, and alkaline earth metal hydroxides (M(OH) 2 , M = Ca 2+ , Mg 2+ ) are frontrunners in this area. As model systems, nanolime samples are excellent templates for the study of this reaction. Here, we have examined these under ambient pressure conditions with controlled humidity and CO 2 . Utilizing a broad range of analytical methods, we first established the purity and structures of the selected materials. We then examined the structural changes due to carbonation, using infrared spectroscopy, X-ray scattering, and neutron scattering. The resulting structural changes are resolved from nanoscale to mesoscale and from early-stage to late-stage carbonation. Ca(OH) 2 and Mg(OH) 2 are found to behave quite differently. As expected from prior work, the carbonation of Ca(OH) 2 is kinetically favored. Further, our structure studies suggest this is due to a facile reaction at the fractal interface of the particles. From early- to late-stage carbonation, there is a consistent increase in the fractal roughness. This is in contrast to Mg(OH) 2 where the same surface evolves into a smooth conformal coating. For this material the major reacting component is at the mesoscale, suggesting globular particle growth or evolving macro-porosity. Because neutron scattering is sensitive to hydrogen content, we expected a significant change as M(OH) 2 evolves to MCO 3 . Such a change is found for Ca(OH) 2 but not for Mg(OH) 2 , providing evidence for the formation of hydrated carbonates for the later material. The formation of a conformal layer along with water-rich carbonate formation is an impediment to the use of Mg(OH) 2 for carbon capture. For energy-efficient carbon capture, it would be desirable to enhance carbonation rates for Mg(OH) 2 , and one possible route would be the use of anhydrous fluids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pretreatment of Biomass by Selected Type-III Deep Eutectic Solvents and Evaluation of the Pretreatment Effects on Hydrothermal Carbonization

Hydrothermal carbonization (HTC) is a novel thermochemical conversion that converts wet biomass into energy dense solid fuel. Residual moisture under subcritical conditions reacts with a lignin-cellulose-hemicellulose matrix with the major reactions being identified as dehydration and decarboxylation. Among other reaction parameters (e.g., temperature, time, pressure), biomass morphology often plays a key role in HTC. The hypothesis of this study was enhancing the porous structure of biomass without significantly affecting biopolymer composition would augment hydrothermal carbonization (HTC). To prove the hypothesis, two type-III deep eutectic solvents (DESs), namely choline chloride:urea (ChCl:Urea, 1:2 mol/mol) and methyltriphenylphosphonium bromide:ethylene glycol (MTPB:EG, 1:4 mol/mol), were studied to pretreat loblolly pine at room temperature and ambient pressure for 1 h. DES pretreatment shows swelling of the biomass, increasing the surface fiber-to-fiber gap length by 52% and 185% for ChCl:Urea and MPTB:EG pretreatments, respectively. The total pore volume remained intact (2.6 × 10 –3 cm 3 /g), although new small pores evolved, and existing pores were abated with DES pretreatment. Hydrochars prepared from DES pretreated loblolly pine showed a high O/C and H/C ratio resulting in a significant increase of energy content (up to 42%) and a decrease of mass yield (up to 50 wt %), indicating an enhancement of HTC severity due to the alteration of surface morphology by DES. Finally, a preliminary process economics revealed that integrated DES pretreatment-HTC would increase fixed capital investment but decrease the cost of operation and manufacturing than the standalone HTC process.

09 BIOMASS FUELS↗

The Role of Biofuels and Biomass Feedstocks for Decarbonizing the U.S. Economy by 2050 - (DECARB) Decarbonizing Energy Through Collaborative Analysis of Routes and Benefits

Utilizing biomass resources, such as cellulosic biomass and waste, can greatly contribute to decarbonization efforts in the U.S. economy. The U.S. bioenergy sector includes corn ethanol production, biodiesel, renewable diesel production, and the utilization of biomass wastes for electricity generation being the primary applications. Within the electricity sector, biopower can play a crucial role as a stable low-carbon resource. Enhancing the electricity mix's diversity could enhance grid reliability. If the issues regarding hot gas cleanup can be resolved, flexible biopower resources like biomass gasification facilities could complement the integration of variable renewable energy sources due to their quick ramp-up and ramp-down times. The criticality of bioenergy deployment lies in its ability to decarbonize hard-to-electrify sectors, such as aviation, where alternative decarbonization options may not be viable in the short term. Moreover, bioenergy has the potential to be converted into process heating, building materials, and plastics, which are not considered in this study. A set of pathways was carefully chosen to represent viable options for converting ample herbaceous and woody cellulosic feedstocks into fuels, chemicals, and electricity in this study. In conclusion, biomass pathways provide flexibility by generating various types of bioenergy and bioproducts, including electricity, hydrogen, liquid fuels, biochemicals, and bioplastics. When paired with carbon dioxide capture and storage (CCS), specific bioenergy approaches can effectively extract carbon dioxide from the atmosphere, thus providing an effective decarbonization option for the transportation sector.

09 BIOMASS FUELS↗

Simulations of biomass compression-screw feeding using a compressible non-Newtonian constitutive model

There is global interest in the conversion of biomass into sustainable low-carbon-footprint fuels and chemicals as an alternative to non-renewable fossil feedstocks. Feeding biomass solids into pressurized reactors is one of the key steps in biomass conversion. Predicting mechanical failure and energy requirements for this step helps avoid upstream processing bottlenecks and enables efficient operation of a biorefinery. Here, in this work, we developed a predictive computational model for biomass screw feeders that capture the highly viscous, non-Newtonian and compressible behavior of biomass slurries. Biomass compressible behavior is formulated by an equation of state and the non-Newtonian rheology is represented by a density-dependent viscosity model. Experimental data from two compression screw-feeder systems are presented as a validation for our model. Our model successfully predicted the location of the compressed biomass “plug”, biomass flow rate, and the required torque at different operating conditions for the experimental conditions studied in this work.

09 BIOMASS FUELS↗