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At least 415 records · Page 23

The Interaction of K and O 2 on Au(111): Multiple Growth Modes of Potassium Oxide and Their Catalytic Activity for CO Oxidation

Abstract In industrial catalysis, alkali cations are frequently used to promote activity or selectivity. Scanning tunneling microscopy, ambient‐pressure X‐ray photoelectron spectroscopy, and density‐functional calculations were used to study the structure and reactivity of potassium oxides in contact with the Au(111) surface. Three different types of oxides (K 2 O 2 , K 2 O and KO y with y <0.5) were observed on top of the gold substrate at 300–525 K. Initially, small aggregates of K 2 O 2 /K 2 O (1–2 nm in size) were seen at the elbows of the herringbone structure. After increasing the K coverage (>0.15 ML), large islands of the oxide (20–40 nm in size) appeared. These islands contained a mixture of K 2 O and KO y ( y <0.5). A key correlation was found involving the structure, oxidation state, and chemical activity of the alkali oxide. The small aggregates of potassium oxide had a very high catalytic activity for the oxidation of CO, being much more than plain promoters.

Shi, Rui↗

The Interaction of K and O 2 on Au(111): Multiple Growth Modes of Potassium Oxide and Their Catalytic Activity for CO Oxidation

Abstract In industrial catalysis, alkali cations are frequently used to promote activity or selectivity. Scanning tunneling microscopy, ambient‐pressure X‐ray photoelectron spectroscopy, and density‐functional calculations were used to study the structure and reactivity of potassium oxides in contact with the Au(111) surface. Three different types of oxides (K 2 O 2 , K 2 O and KO y with y <0.5) were observed on top of the gold substrate at 300–525 K. Initially, small aggregates of K 2 O 2 /K 2 O (1–2 nm in size) were seen at the elbows of the herringbone structure. After increasing the K coverage (>0.15 ML), large islands of the oxide (20–40 nm in size) appeared. These islands contained a mixture of K 2 O and KO y ( y <0.5). A key correlation was found involving the structure, oxidation state, and chemical activity of the alkali oxide. The small aggregates of potassium oxide had a very high catalytic activity for the oxidation of CO, being much more than plain promoters.

Shi, Rui↗

Reverse water-gas shift: Na doping of m-ZrO 2 supported Pt for selectivity control

Reverse water-gas shift (RWGS) is a vital step in producing syngas for the chemical conversion of CO 2 to liquid transportation fuels and chemicals. Na-doping of m-ZrO 2 supported Pt catalysts allowed selectivity control by systematically increasing the ratio of relative rates of r CO /r CH4 . This was achieved by facilitating the formation of formate intermediate species, which precedes CO formation, and by suppressing the metallic Pt 0 active sites responsible for CH 4 formation. Here, a 2.5%Na-2%Pt/m-ZrO 2 catalyst was first tested for the forward water-gas shift (FWGS) reaction and found to have 50% higher CO conversion at 285°C compared to the undoped catalyst. Results of DRIFTS spectroscopy of adsorbed CO confirmed a formate ν(CH) band shift to lower wavenumbers (2870–2802 cm —1 ) with the addition of Na and more rapid forward formate decomposition in steam to H 2 and carbonate species, the precursor to CO 2 . This is consistent with C-H bond breaking being the rate limiting step of a FWGS mechanism occurring at the metal-support junction. Consistent with this, DRIFTS of RWGS in 4%CO 2 + 60%H 2 showed more facile formation of formate for the Na-doped catalyst and, once again, the ν(CH) band was shifted to lower wavenumbers (2874–2803 cm —1 ) with Na-doping. In addition, Na doping resulted in a systematic decrease in the Pt-carbonyl band in DRIFTS of adsorbed CO as well as DRIFTS of in-situ RWGS reaction tests, suggesting that Na blocked a fraction of on-top Pt sites, breaking up ensembles of Pt 0 responsible for methanation. The selectivity of the 2.5%Na-doped catalyst, unlike its undoped counterpart, was remarkably resistant to methanation (e.g., selectivity < 0.2% CH 4 with pressures of up to 20 bar).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data-driven multi-element substitution of TiFe alloys for tunable thermodynamics and enhanced activation behaviour for hydrogen storage

Due to their high volumetric hydrogen storage capacity under moderate storage conditions, TiFe alloys have been widely investigated as candidates for practical solid-state hydrogen storage. Partially substituting Ti or Fe sites can improve the key characteristics of TiFe alloys, such as the first hydrogen absorption step (activation) and the equilibrium hydrogen pressure (thermodynamic properties). However, the selection of substitution elements has heavily relied on intuition and trial-and-error. Also, conventional substitution strategies have mainly focused on single-element substitution within the TiFe alloy, limiting the design space and tunability for target applications. Here, to address this limitation, we report a multi-element substitution strategy motivated by an efficient, data-driven machine learning (ML) approach combined with corroborating density functional theory (DFT) calculations. Our models successfully predict experimentally measured hydride stability in five selected alloys using only compositional descriptors. Most importantly, the multi-element substitution leads to enhanced activation properties compared to pure TiFe, achieving near room-temperature activation behaviour. This work provides a method for on-demand tuning of hydrogen storage and activation properties, which may have broad implications for data-driven discovery of energy storage materials.

Cho, YongJun [Korea Advanced Institute Science and↗

How plane are plane shock waves in solids

The notion of plane shock waves is a macroscopic, very fruitful idealization of near discontinuous disturbance propagating at supersonic speed. Such a picture is comparable to the picture of shorelines seen from a very high altitude. When viewed at the grain scale where the structure of solids is inherently heterogeneous and stochastic, features of shock waves are non-laminar and field variables, such as particle velocity and pressure, fluctuate. This paper reviews select aspects of such fluctuating nonequilibrium features of plane shock waves in solids with focus on grain scale phenomena and raises the need for a paradigm change to achieve a deeper understanding of plane shock waves in solids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DESIGN ISSUES AND QUALIFICATION OF HYDROFORMED DOUBLE WALLED EXPANSION JOINTS IN VACUUM SERVICE

The Vacuum Auxiliary System for ITER is devoted to pumping out, venting, and purging the vacuum volumes of the tokamak. Over 5000 clients including the cryostat and vacuum vessel, at 8500 m3 and 1400 m3 respectively, are serviced by approximately 150 pumping stations through 6 km of pipework. The piping and functions provided to the clients include component operation, routing of potentially tritiated gases, and timely leak localization. Expansion joints are used to reduce loadings on pumps and piping stresses but also to qualify in-line components having low allowable design loads. The ITER project utilizes vacuum valves that are not designed to withstand typical piping system loadings and require detailed design and evaluation. Loading scenarios prescribed by governing system specifications must be considered. To maintain allowable design loads for components and to keep piping stresses below code requirements, double walled hydroformed expansion joints have been employed in the design. These are not standard items and require custom fabrication. Installation space constraints and adjacent pipe support attachment location availability at ITER limit standard expansion joint installation guidelines provided by the Expasion Joint Manufacturers Association (EJMA). Careful consideration must be given to the analysis model to ensure proper function and life expectancy of the component. These considerations include accurate accounting of thrust forces, thermal movements, seismic accelerations, equipment and building differential displacements. In addition to displacements, the process internal, external, and interspace pressures affect the qualification and selection of the double walled expansion joints. The calculation results shall confirm that deflections, forces, and moments are reasonable for the size and type required for the system’s demands as evaluated against the manufacturer’s design.

Clark, Forrest [ORNL] (ORCID:0009000678106843)↗

Plasma processing of SRF cavities at Jefferson Lab: Experiment results and simulation insight

Plasma processing of superconducting radio frequency (SRF) cavities has been an active research effort at Jefferson Lab (JLab) since 2019, aimed at enhancing cavity performance by removing hydrocarbon contaminants and reducing field emission. In this experiment, processing using argon-oxygen and helium-oxygen gas mixtures to find minimum ignition power at different cavity pressure was investigated. Ongoing simulations are contributing to a better understanding of the plasma surface interactions and the fundamental physics behind the process. These simulations, combined with experimental studies, guide the optimization of key parameters such as gas type, RF power, and pressure to ignite plasma using selected higher-order mode (HOM) frequencies. This paper presents experimental data from argon-oxygen and helium-oxygen gas mixture C75 and C100 cavity plasma ignition studies, as well as simulation results for the C100-type cavity based on the COMSOL model previously applied to the C75 cavity.

Accelerator Physics↗

Active Reservoir Management Engineering and Evaluation Summary – Brine Extraction and Storage Test Phase II Final Report – Volumes 1-3

The Energy & Environmental Research Center (EERC) conducted a multiyear program over two phases to perform a field study of the potential efficacy of formation water extraction during carbon dioxide (CO 2 ) injection for CO 2 storage as a means of improving efficiency and/or effectiveness. Phase I was a 2-year study on potential methodologies for a field study of pressure management, culminating in site selection and experimental and site design. Phase II was a 7-year effort that involved constructing site facilities, conducting experiments, and evaluating collected field data. The experimental portion was split into two collaborative components, one for the active reservoir management (ARM) experiment and a second component to host and demonstrate potential water treatment technologies appropriate for high-saline brine at the project site. The results of the overall project are expected to benefit future saline storage projects through validation of techniques that may reduce stress on sealing formations, increase storage capacity, and reduce area of review. The following report focuses on the Phase II ARM experimental implementation and results. A second companion report summarizes the results of the high-saline brine demonstrations.

54 ENVIRONMENTAL SCIENCES↗

Development of an oxygen impact-testing method

The development of a gaseous oxygen impact test method to aid in the selection of materials for high pressure oxygen systems is discussed. The objectives of the tests and the test equipment used are described. It is concluded that the impact test procedures are adequate for present purposes, but cannot be depended upon for establishing future standards.

Jamison, H. H.↗

Advanced extravehicular protective systems study, volume 2

The results of the subsystem studies are presented. Initial identification and evaluation of candidate subsystem concepts in the area of thermal control, humidity control, CO2 control/O2 supply, contaminant control and power supply are discussed. The candidate concepts that were judged to be obviously noncompetitive were deleted from further consideration and the remaining candidate concepts were carried into the go/no go evaluation. A detailed parametric analysis of each of the thermal/humidity control and CO2 control/O2 supply subsystem concepts which passed the go/no go evaluation is described. Based upon the results of the parametric analyses, primary and secondary evaluations of the remaining candidate concepts were conducted. These results and the subsystem recommendations emanating from these results are discussed. In addition, the parametric analyses of the recommended subsystem concepts were updated to reflect the final AEPS specification requirements. A detailed discussion regarding the selection of the AEPS operating pressure level is presented.

Sutton, J. G.↗

Prolonged weightlessness (300 plus days) and cardiac performance in primates. 1: Neuro-humoral mechanisms in the control of cardiac and vascular performance in conscious animals

Research during the period 1 Oct. 1971 to 1 Oct. 1972 is reported. Studies discussed include: development of techniques for instrumentation of dogs and other animals, effects of temporary application of lower body negative pressure, and effect of infusing selected drugs on ventricular performance.

Hawthorne, E. W.↗

Trajectory correction propulsion for TOPS

A blowdown-pressurized hydrazine propulsion system was selected to provide trajectory correction impulse for outer planet flyby spacecraft as the result of cost/mass/reliability tradeoff analyses. Present hydrazine component and system technology and component designs were evaluated for application to the Thermoelectric Outer Planet Spacecraft (TOPS); while general hydrazine technology was adequate, component design changes were deemed necessary for TOPS-type missions. A prototype hydrazine propulsion system was fabricated and fired nine times for a total of 1600 s to demonstrate the operation and performance of the TOPS propulsion configuration. A flight-weight trajectory correction propulsion subsystem (TCPS) was designed for the TOPS based on actual and estimated advanced components.

Long, H. R.↗

Measurements of NH3 absorption coefficients with a C-13/O-16/2 laser

Measurements of NH3 absorption coefficients are presented for several transitions of a C-13(O-16)2 laser for small concentrations of NH3(p less than 1 torr) for absorption lines broadened to 1 atm with N2. NH3 absorption coefficients were determined for laser transitions R(8)(920.2194 wavelengths/cm) to R(28)(933.8808 wavelengths/cm) of the 00 1 - (10 0,02 0)I band. The strongest absorption coefficient K = 36.09 + or - 1.43 per (atm-cm) was measured for the R(18) transition for the NH3 line, aQ(6,6), and is larger than has been found in any previous measurements with a CO2 laser. The dependence of K on total pressure was also obtained for select transitions, and the frequency separation between the R(18) laser transition and the neighboring NH3 line aQ(6,6) was determined to be 550 + or - 50 MHz. These results are significant for long path absorption monitoring of NH3 with CO2 lasers since the path length can be reduced by approximately 40% and for heterodyne detection of NH3 since the relative position of the laser transition to the NH3 absorption line is well within the bandpass of Hg-Cd-Te photomixers.

Allario, F.↗

Preliminary analysis of aircraft fuel systems for use with broadened specification jet fuels

An analytical study was conducted on the use of broadened specification hydrocarbon fuels in present day aircraft. A short range Boeing 727 mission and three long range Boeing 747 missions were used as basis of calculation for one-day-per-year extreme values of fuel loading, airport ambient and altitude ambient temperatures with various seasonal and climatic conditions. Four hypothetical fuels were selected; two high-vapor-pressure fuels with 35 kPa and 70 kPa RVP and two high-freezing-point fuels with -29 C and -18 C freezing points. In-flight fuel temperatures were predicted by Boeing's aircraft fuel tank thermal analyzer computer program. Boil-off rates were calculated for the high vapor pressure fuels and heating/insulation requirements for the high freezing point fuels were established. Possible minor and major heating system modifications were investigated with respect to heat output, performance and economic penalties for the high freezing point fuels.

Pasion, A. J.↗

Computer Program for Calculation of a Gas Temperature Profile by Infrared Emission: Absorption Spectroscopy

A computer program to calculate the temperature profile of a flame or hot gas was presented in detail. Emphasis was on profiles found in jet engine or rocket engine exhaust streams containing H2O or CO2 radiating gases. The temperature profile was assumed axisymmetric with an assumed functional form controlled by two variable parameters. The parameters were calculated using measurements of gas radiation at two wavelengths in the infrared. The program also gave some information on the pressure profile. A method of selection of wavelengths was given that is likely to lead to an accurate determination of the parameters. The program is written in FORTRAN IV language and runs in less than 60 seconds on a Univac 1100 computer.

Buchele, D. R.↗

Sputtering technology in solid film lubrication

Potential and present sputtering technology is discussed as it applies to the deposition of solid film lubricants particularly MoS2, WS2, and PTFE. Since the sputtered films are very thin, the selection of the sputtering parameters and substrate condition is very critical as reflected by the lubricating properties. It was shown with sputtered MoS2 films that the lubricating characteristics are directly affected by the selected sputtering parameters (power density, pressure, sputter etching, dc-biasing, etc.) and the substrate temperature, chemistry, topography and the environmental conditions during the friction tests. Electron microscopy and other surface sensitive analytical techniques illustrate the resulting changes in sputtered MoS2 film morphology and chemistry which directly influence the film adherence and frictional properties.

Spalvins, T.↗

The Ascent Air Data System for the Space Shuttle

The Ascent Air Data System (AADS) consists of a biconic spike probe on the nose of the Space Shuttle External Tank. The final configuration of the AADS was selected on the basis of pressure measurement accuracy and simplification of the configuration. Wind tunnel calibrations were formulated to convert the 30 deg/10 deg spike measured pressures to the desired air data parameters for postflight analyses. Estimates of the system performance show that in general the user requirements for angle of attack and sideslip, and dynamic pressure are met or only slightly exceeded by the estimated errors.

Hillje, E. R.↗

Noise prediction for jetstar prop-fan test

The acoustic calculations reported in this memorandum are for two model prop-fan designs (SR-2 and SR-3 blades) scheduled for test on top of Jetstar aircraft. The predicted acoustic pressure signatures and spectra for selected microphone positions on the fuselage and operating conditions are presented. A detailed presentation of the input data, the acoustic results, and the corrections for microphone fuselage reflection are included. The general trend observed in these calculations is that the acoustically optimized model (using SR-3 blades) is substantially quieter than the model with SR-2 blades. This latter design has conventional straight blades.

Farassat, F.↗