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At least 1,027 records · Page 57

A Percolating Path to Green Iron

About 1.9 gigatonnes of steel is produced every year emitting 7% (2.7 gigatonnes) of global CO 2 in the process. More than 50% of the CO 2 emissions come from a single step of steelmaking, known as ironmaking. Hydrogen based direct reduction (HyDR) of iron oxide to iron has emerged as an emissions free ironmaking alternative. However multi-scale phenomena ranging from nanometers to meters inside HyDR reactors exhibit detrimental microstructure evolution which resists gaseous transport of H 2 /H 2 O, slows reaction rates and disrupts continuous reactor operation. To resolve the conundrum between atomic and reactor scales, we devise a percolation-theory model to reconcile nanoscale porosity with macroscopic properties relevant to reactor design models. Using synchrotron nano X-ray computed-tomography, we quantify the evolution of pores in iron oxide pellets, and demonstrate how nano-scale pore networks influence micro and macro-scale flow properties such as permeability, diffusivity and tortuosity. Our new modeling framework bridges the gap between scales and offers the criteria to accelerate HyDR by at least 5x via feedstock-reactor synergies based on percolation.

Paul, Subhechchha↗

Development of a household waste treatment subsystem, volume 1

The domestic waste treatment subsystem was developed to process the daily liquid and non-metallic solid wastes provided by a family of four people. The subsystem was designed to be connected to the sewer line of a household which contained water conservation features. The system consisted of an evaporation technique to separate liquids from solids, an incineration technique for solids reduction, and a catalytic oxidizer for eliminating noxious gases from evaporation and incineration processes. All wastes were passed through a grinder which masticated the solids and deposited them in a settling tank. The liquids were transferred through a cleanable filter into a holding tank. From here the liquids were sprayed into an evaporator and a spray chamber where evaporation occurred. The resulting vapors were processed by catalytic oxidation. Water and latent energy were recovered in a combination evaporator/condenser heat exchanger. The solids were conveyed into an incinerator and reduced to ash while the incineration gases were passed through the catalytic oxidizer along with the processed water vapor.

Gresko, T. M.↗

The biogeochemistry of microbial mats, stromatolites and the ancient biosphere

Stromatolites offer an unparalleled geologic record of early life, because they constitute the oldest and most abundant recognizable remains of microbial ecosystems. Microbial mats are living homologs of stromatolites; thus, the physiology of the microbiota as well as the processes which create those features of mats (e.g., biomarker organic compounds, elemental and stable isotopic compositions) which are preserved in the ancient record. Observations of the carbon isotopic composition (delta C-13) of stromatolites and microbial mats were made and are consistent with the hypothesis that atmospheric CO2 concentrations have declined by at least one to two orders of magnitude during the past 2.5 Ga. Whereas delta C-13 values of carbonate carbon average about 0 permil during both the early and mid-Proterozoic, the delta C-13 values of stromatolitic organic matter increase from an average of -35 between 2.0 and 2.6 Ga ago to an average of about -28 about 1.0 Ga ago. Modern microbial mats in hypersaline environments have delta C-13 values typically in the range of -5 to -9, relative to an inorganic bicarbonate source at 0 permil. Both microbial mats and pur cultures of cyanobacteria grown in waters in near equilibrium with current atmospheric CO2 levels exhibit minimal discrimination against C-13. In contrast, hot spring cyanobacterial mats or cyanobacterial cultures grown under higher CO2 levels exhibit substantially greater discrimination. If care is taken to compare modern mats with stromatolites from comparable environments, it might be possible to estimate ancient levels of atmospheric CO2. In modern microbial mats, a tight coupling exists between photosynthetic organic carbon production and subsequent carbon oxidation, mostly by sulfate reduction. The rate of one process fuels a high rate of the other, with much of the sulfate reduction occurring within the same depth interval as oxygenic photosynthesis. Other aspects of this study are presented.

Desmarais, D. J.↗

Contactless Growth of ZnSe Single Crystals by Physical Vapor Transport

ZnSe crystals were grown by self-seeded physical vapor transport (PVT) technique in the horizontal configuration. The source materials were heat treated by H2 reduction to remove the oxide followed by baking under dynamic vacuum to adjust the source composition toward that of congruent sublimation. Contactless growth of ZnSe single crystals have been performed consistently using three different source materials. The crystals grew away from the wall during the later stage of the growth with large (110) facets tend to align parallel to the gravity direction. The Scanning Electron Micrography (SEM) micrographs and the Atomic Force Microscope (AFM) images showed that large (110) terraces and steps dominate the as-grown facets. The measured residual gas pressures in the processed ampoules agree well among various source materials and the major components were CO and H2. No preferred growth direction was found. The one-dimensional diffusion model on the mass flux of a multi-species PVT system was employed to analyze the conditions for contactless growth. The calculated thermal profile for supersaturation is very close to the thermal profile measured inside the empty furnace bore in the region of contactless growth. The effects of convective flows in the vapor phase inside the ampoule on the growth processes are discussed.

Su, Ching-Hua↗

Small Engine Technology (SET) - Task 4, Regional Turboprop/Turbofan Engine Advanced Combustor Study

Under the SET Program Task 4 - Regional Turboprop/Turbofan Engine Advanced Combustor Study, a total of ten low-emissions combustion system concepts were evaluated analytically for three different gas turbine engine geometries and three different levels of oxides of nitrogen (NOx) reduction technology, using an existing AlliedSignal three-dimensional (3-D) Computational Fluid Dynamics (CFD) code to predict Landing and Takeoff (LTO) engine cycle emission values. A list of potential Barrier Technologies to the successful implementation of these low-NOx combustor designs was created and assessed. A trade study was performed that ranked each of the ten study configurations on the basis of a number of manufacturing and durability factors, in addition to emissions levels. The results of the trade study identified three basic NOx-emissions reduction concepts that could be incorporated in proposed follow-on combustor technology development programs aimed at demonstrating low-NOx combustor hardware. These concepts are: high-flow swirlers and primary orifices, fuel-preparation cans, and double-dome swirlers.

Reynolds, Robert↗

Oxidation Kinetics and Strength Degradation of Carbon Fibers in a Cracked Ceramic Matrix Composite

Experimental results and oxidation modeling will be presented to discuss carbon fiber susceptibility to oxidation, the oxidation kinetics regimes and composite strength degradation and failure due to oxidation. Thermogravimetric Analysis (TGA) was used to study the oxidation rates of carbon fiber and of a pyro-carbon interphase. The analysis was used to separately obtain activation energies for the carbon constituents within a C/SiC composite. TGA was also conducted on C/SiC composite material to study carbon oxidation and crack closure as a function of temperature. In order to more closely match applications conditions C/SiC tensile coupons were also tested under stressed oxidation conditions. The stressed oxidation tests show that C/SiC is much more susceptible to oxidation when the material is under an applied load where the cracks are open and allow for oxygen ingress. The results help correlate carbon oxidation with composite strength reduction and failure.

Halbig, Michael C.↗

Hydrogen generation by electrolysis of aqueous organic solutions

A device for electrolysis of an aqueous solution of an organic fuel. The electrolyte is a solid-state polymer membrane with anode and cathode catalysts on both surfaces for electro-oxidization and electro-reduction. A low-cost and portable hydrogen generator can be made based on the device with organic fuels such as methanol.

Narayanan, Sekharipuram R.↗

Hydrogen generation by electrolysis of aqueous organic solutions

A device for electrolysis of an aqueous solution of an organic fuel. The electrolyte is a solid-state polymer membrane with anode and cathode catalysts on both surfaces for electro-oxidization and electro-reduction. A low-cost and portable hydrogen generator can be made based on the device with organic fuels such as methanol.

Narayanan, Sekharipuram R.↗

Battery plate containing filler with conductive coating

The plate (10) comprises a matrix or binder resin phase (12) in which is dispersed particulate, conductive tin oxide such as tin oxide coated glass fibers (14). A monopolar plate (11) is prepared by coating a layer (18) of electrolytically active material onto a surface of the plate (10). Tin oxide is prevented from reduction by coating a surface of the plate (10) with a conductive, impervious layer resistant to reduction such as a thin film (22) of lead adhered to the plate with a layer (21) of conductive adhesive. The plate (10) can be formed by casting a molten dispersion from mixer (36) onto a sheet (30) of lead foil or by passing an assembly of a sheet (41) of resin, a sheet (43) of fiberglass and a sheet (45) of lead between the nip of heated rollers (48, 50).

Rowlette, John J.↗

Battery plate containing filler with conductive coating

The plate (10) comprises a matrix or binder resin phase (12) in which is dispersed particulate, conductive tin oxide such as tin oxide coated glass fibers (14). A monopolar plate (11) is prepared by coating a layer (18) of electrolytically active material onto a surface of the plate (10). Tin oxide is prevented from reduction by coating a surface of the plate (10) with a conductive, impervious layer resistant to reduction such as a thin film (22) of lead adhered to the plate with a layer (21) of conductive adhesive. The plate (10) can be formed by casting a molten dispersion from mixer (36) onto a sheet (30) of lead foil or by passing an assembly of a sheet (41) of resin, a sheet (43) of fiberglass and a sheet (45) of lead between the nip of heated rollers (48, 50).

Rowlette, John J.↗

Hydrogen generation by electrolysis of aqueous organic solutions

A device for electrolysis of an aqueous solution of an organic fuel. The electrolyte is a solid-state polymer membrane with anode and cathode catalysts on both surfaces for electro-oxidization and electro-reduction. A low-cost and portable hydrogen generator can be made based on the device with organic fuels such as methanol.

Narayanan, Sekharipuram R.↗

Lithium Dinitramide as an Additive in Lithium Power Cells

Lithium dinitramide, LiN(NO2)2 has shown promise as an additive to nonaqueous electrolytes in rechargeable and non-rechargeable lithium-ion-based electrochemical power cells. Such non-aqueous electrolytes consist of lithium salts dissolved in mixtures of organic ethers, esters, carbonates, or acetals. The benefits of adding lithium dinitramide (which is also a lithium salt) include lower irreversible loss of capacity on the first charge/discharge cycle, higher cycle life, lower self-discharge, greater flexibility in selection of electrolyte solvents, and greater charge capacity. The need for a suitable electrolyte additive arises as follows: The metallic lithium in the anode of a lithium-ion-based power cell is so highly reactive that in addition to the desired main electrochemical reaction, it engages in side reactions that cause formation of resistive films and dendrites, which degrade performance as quantified in terms of charge capacity, cycle life, shelf life, first-cycle irreversible capacity loss, specific power, and specific energy. The incidence of side reactions can be reduced through the formation of a solid-electrolyte interface (SEI) a thin film that prevents direct contact between the lithium anode material and the electrolyte. Ideally, an SEI should chemically protect the anode and the electrolyte from each other while exhibiting high conductivity for lithium ions and little or no conductivity for electrons. A suitable additive can act as an SEI promoter. Heretofore, most SEI promotion was thought to derive from organic molecules in electrolyte solutions. In contrast, lithium dinitramide is inorganic. Dinitramide compounds are known as oxidizers in rocket-fuel chemistry and until now, were not known as SEI promoters in battery chemistry. Although the exact reason for the improvement afforded by the addition of lithium dinitramide is not clear, it has been hypothesized that lithium dinitramide competes with other electrolyte constituents to react with lithium on the surface of the anode to form a beneficial SEI. Apparently, nitrides and oxides that result from reduction of lithium dinitramide on the anode produce a thin, robust SEI different from the SEIs formed from organic SEI promoters. The SEI formed from lithium dinitramide is more electronically insulating than is the film formed in the presence of an otherwise identical electrolyte that does not include lithium dinitramide. SEI promotion with lithium dinitramide is useful in batteries with metallic lithium and lithium alloy anodes.

Gorkovenko, Alexander A.↗

Pneumatic Regolith Transfer Systems for In-Situ Resource Utilization

One aspect of In-Situ Resource Utilization (lSRU) in a lunar environment is to extract oxygen and other elements from the minerals that make up the lunar regolith. Typical ISRU oxygen production processes include but are not limited to hydrogen reduction, carbothermal and molten oxide electrolysis. All of these processes require the transfer of regolith from a supply hopper into a reactor for chemical reaction processing, and the subsequent extraction of the reacted regolith from the reactor. This paper will discuss recent activities in the NASA ISRU project involved with developing pneumatic conveying methods to achieve lunar regolith simulant transfer under I-g and 1/6-g gravitational environments. Examples will be given of hardware that has been developed and tested by NASA on reduced gravity flights. Lessons learned and details of pneumatic regolith transfer systems will be examined as well as the relative performance in a 1/6th G environment

Mueller, Robert P.↗

Techno-economic Analysis for a Low Cost and Recyclable Oxygen Carrier

The novelty of a chemical looping combustion (CLC) process is its ability to oxidize solid or gaseous fuels in a nitrogen-free environment eliminating the need for post combustion carbon dioxide capture. The technology is based on the oxygen carrier (OC); a metal oxide that at high temperatures can undergo a reduction reaction with a fuel, followed by an oxidation reaction with air. Successful development of CLC processes is dependent on the OC having: low cost, high attrition resistance under CLC conditions, and high reactivity for coal. In this paper, we discuss the development of a novel iron-based OC formulation produced from low cost and abundant raw materials. The active OC components are recyclable, with reformulated material performance comparable to the virgin OC, even when reformulated with ash contents of up to 10%. Furthermore, we discuss a techno-economic analysis for a centrally located OC facility for the novel OC, with a production capacity of 1 million metric tonnes per year. The facility serves a hypothetical market comprising 25 chemical looping combustion facilities, averaging 5 tonnes per hour OC replacement per facility. Estimates for the cost of the OC are around $150/tonne, and include an energy-to-power option to improve process economics.

20 FOSSIL-FUELED POWER PLANTS↗

Inverse iron oxide/metal catalysts from galvanic replacement

Key chemical transformations require metal and redox sites in proximity at interfaces; however, in traditional oxide-supported materials, this requirement is met only at the perimeters of metal nanoparticles. We report that galvanic replacement can produce inverse FeO x /metal nanostructures in which the concentration of oxide species adjoining metal domains is maximal. The synthesis involves reductive deposition of rhodium or platinum and oxidation of Fe 2+ from magnetite (Fe 3 O 4 ). We discovered a parallel dissolution and adsorption of Fe 2+ onto the metal, yielding inverse FeO x -coated metal nanoparticles. This nanostructure exhibits the intrinsic activity in selective CO 2 reduction that simple metal nanoparticles have only at interfaces with the support. By enabling a simple way to control the surface functionality of metal particles, our approach is not only scalable but also enables a versatile palette for catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamic Behavior of Platinum Atoms and Clusters in the Native Oxide Layer of Aluminum Nanocrystals

Strong metal–support interactions (SMSIs) are well-known in the field of heterogeneous catalysis to induce the encapsulation of platinum (Pt) group metals by oxide supports through high temperature H 2 reduction. However, demonstrations of SMSI overlayers have largely been limited to reducible oxides, such as TiO 2 and Nb 2 O 5 . In this report we show that the amorphous native surface oxide of plasmonic aluminum nanocrystals (AlNCs) exhibits SMSI-induced encapsulation of Pt following reduction in H 2 in a Pt structure dependent manner. Reductive treatment in H 2 at 300 °C induces the formation of an AlO x SMSI overlayer on Pt clusters, leaving Pt single-atom sites (Ptiso) exposed available for catalysis. The remaining exposed Pt iso species possess a more uniform local coordination environment than has been observed on other forms of Al 2 O 3 , suggesting that the AlO x native oxide of AlNCs presents well-defined anchoring sites for individual Pt atoms. This observation extends our understanding of SMSIs by providing evidence that H 2 -induced encapsulation can occur for a wider variety of materials and should stimulate expanded studies of this effect to include nonreducible oxides with oxygen defects and the presence of disorder. It also suggests that the single-atom sites created in this manner, when combined with the plasmonic properties of the Al nanocrystal core, may allow for site-specific single-atom plasmonic photocatalysis, providing dynamic control over the light-driven reactivity in these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Redox Defect Thermochemistry of FeAl 2 O 4 Hercynite in Water Splitting from First-Principles Methods

Solar thermochemical hydrogen (STCH) production is a promising route to produce fuels from sunlight via high-temperature water splitting. However, efficient and technologically viable implementations of this process only allow a narrow window of thermodynamic boundary conditions that can be used to cycle the system, thus limiting the design space for suitable metal oxide redox mediators. An oxygen defect redox mechanism can contribute a favorable reduction entropy to expand this window, and computational evaluation of materials with high oxygen defect entropies could play a pivotal role in guiding the discovery and design of suitable oxides. This study employs first-principles calculations to investigate the redox mediating defect mechanism of the STCH candidate material, hercynite (FeAl 2 O 4 ). We compare the results of total energy calculations from density functional theory (DFT) with beyond-DFT approaches, including hybrid functionals and the random phase approximation, which are among the most advanced methods currently feasible for supercell defect calculations. Using the predicted formation energies, we perform thermodynamic modeling of FeAl2O4 reduction and oxidation via free energy minimization that incorporates ideal gas, configurational, and vibrational entropy contributions evaluated within the quasi-harmonic approximation. Special attention is devoted to understanding interactions among co-existing defects, such as the association of pairs and complexes of O vacancies and cation antisite defects, and the effect of mutually compensating defect charges. Our results corroborate the notion that the details of defect interactions can be decisive for the viability of hydrogen production within the desirable STCH process window.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗