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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Free energy difference to create the M-OH* intermediate of the oxygen evolution reaction by time-resolved optical spectroscopy

Theoretical descriptors differentiate the catalytic activity of materials for the oxygen evolution reaction by the strength of oxygen binding in the reactive intermediate created upon electron transfer. Recently, time-resolved spectroscopy of a photo-electrochemically driven oxygen evolution reaction followed the vibrational and optical spectra of this intermediate, denoted M-OH*. However, these inherently kinetic experiments have not been connected to the relevant thermodynamic quantities. Here we discover that picosecond optical spectra of the Ti-OH* population on lightly doped SrTiO 3 are ordered by the surface hydroxylation. A Langmuir isotherm as a function of pH extracts an effective equilibrium constant relatable to the free energy difference of the first oxygen evolution reaction step. Thus, time-resolved spectroscopy of the catalytic surface reveals both kinetic and energetic information of elementary reaction steps, which provides a critical new connection between theory and experiment by which to tailor the pathway of water oxidation and other surface reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Renewable Electrolysis System Development (Final Report)

Renewable hydrogen is becoming globally recognized as a key component required for de-carbonization of our energy system, both as a medium for capture of excess renewable energy sources, vehicle refueling, and as an intermediate for multiple industrial processes. Hydrogen production, via low-temperature electrolysis, is a flexible grid-friendly, clean energy carrying intermediate that enables fast ramp and de-ramp rates as naturally varying solar, wind, and storage systems become a larger percentage of the electricity mix. Analysis shows that by 2050, employing renewable hydrogen at scale can decrease total U.S. CO 2 emissions by about half relative to business as usual, critical to achieving >80% greenhouse gas reduction targets. Energy storage systems help commercial customers reduce their electric bills by storing energy from the grid or from renewable electricity sources when energy is inexpensive, then using that stored energy when demand and prices are high. Proton exchange membrane (PEM) electrolysis is one of the few technologies that can produce hydrogen with zero carbon emissions at relevant scale (hundreds of MWs) in the near term. NREL's research has shown that electrolyzers are fast and flexible enough to participate in energy and ancillary service markets that can help stabilize the grid. In 2015, Proton OnSite (now NEL Hydrogen) introduced the M-series electrolyzer platform, the world's first megawatt PEM electrolyzer for the global energy storage market, offering a carbon-free source of hydrogen fuel or process gas. In addition, the ability to sell the hydrogen into a high value application like vehicle (e.g., light- and heavy-duty and material handling) fueling allows for a layering of revenue streams that creates better business cases for hydrogen energy storage systems (HES). The ability to provide multiple value streams from the fast-responding controllable electrolyzer will have a direct impact on the net cost of hydrogen.

08 HYDROGEN↗
NASA NTRS1994

Spectral energy distributions of the brightest Palomar-Green quasars at intermediate redshifts

We have combined low-dispersion International Ultraviolet Explorer (IUE) spectra with the optical/near-IR spectrophotometry of Neugebauer et al. (1987) in order to study the spectral energy distributions of seven of the brightest Palomar-Green (PG) quasars at intermediate redshifts (Z(sub em) greater than or equal to 0.9 and less than or equal to 1.5). Some of these PG quasars are barely detectable in long IUE exposures, so we have used the Gaussian Extraction (GEX) technique to maximize the signal-to-noise of the IUE data, and we have co-added all spectra available from the IUE archive for each QSO unless the ultraviolet spectra varied significantly from one exposure to the next. We have corrected the spectral energy distributions for Milky Way reddening using the observed neutral hydrogen column densities on each sight line and the gas-to-dust relation recently derived by Diplas & Savage. Six of the seven quasars are detected down to lambda much less than 700 A in the rest frame, and consequently continuum reddening due to dust in the immediate vicinity of the quasar can have a dramatic effect on the spectral energy distributions. In order to explore the possible importance of intrinsic continuum reddening, we have assembled a heuristic extinction curve which extends to lambda much less than 912 A. Using this heuristic extinction curve, we derive reasonable upper limits on the intrinsic E(B-V) for each quasar. We briefly discuss some of the implications of the derived intrinsic continuum reddening limits. We use geometrically thin accretion disk models to derive the black hole masses and accretion rates implied by the spectral energy distributions. Even if we neglect intrinsic reddening, we find that a large fraction of the quasars require super-Eddington accretion rates (which is not consistent with the thin disk assumption). Comparison of the data in this paper to a large body of data from the literature on the accretion disk M(sub BH) - M dot grid calculated by Wandel & Petrosian reveals that our quasars are among the brightest in the sky at 1450 A, and ostensibly suggests that the fraction of quasars which require super-Eddington accretion rates is much smaller than the fraction that we derive from our data alone. However, intrinsic continuum reddening has been ignored in this comparison, and a small amount of intrinsic reddening will push more of the quasars into the super-Eddington regime. We also plot the recent reverberation monitoring results on NGC 5548 and NGC 3783 on the Wandel & Petrosian grid, and we find that these Seyfert galaxies appear to vary along lines of constant M(sub BH). Continuum flux from two of the quasars in our main sample, PG 1338+416 and PG 1630+377, is detected at lambda(sub rest) less than 584 A. These quasars can in principle be used for the He I Gunn-Peterson test, but the S/N of IUE spectra of individual objects is usually too low to place interesting limits on the Gunn-Peterson optical depth. In order to improve the S/N, we have formed a composite spectrum from the spectra of five quasars detected with IUE at lambda(sub rest) less than 584 A, and we have used this composite spectrum to place a tighter limit on tau(sub GP, He I). We briefly discuss intermediate-redshift Lyman limit systems (Z(sub LL) greater than or equal to 0.5 and less than or equal to 1.6) detected in the IUE spectra of five quasars, including lower limits on N(H I) in each Lyman limit system.

Tripp, Todd M.↗
DOE OSTI2020

Microkinetic Modeling: A Tool for Rational Catalyst Design

The design of heterogeneous catalysts relies on understanding the fundamental surface kinetics that controls catalyst performance, and microkinetic modeling is a tool that can help the researcher in streamlining the process of catalyst design. Microkinetic modeling is used to identify critical reaction intermediates and rate-determining elementary reactions, thereby providing vital information for designing an improved catalyst. In this review, we summarize general procedures for developing microkinetic models using reaction kinetics parameters obtained from experimental data, theoretical correlations, and quantum chemical calculations. We examine the methods required to ensure the thermodynamic consistency of the microkinetic model. We describe procedures required for parameter adjustments to account for the heterogeneity of the catalyst and the inherent errors in parameter estimation. We discuss the analysis of microkinetic models to determine the rate determining reactions using the degree of rate control and reversibility of each elementary reaction. We introduce incorporation of Brønsted–Evans–Polanyi relations and scaling relations in microkinetic models and the effects of these relations on catalytic performance and formation of volcano curves. We review the analysis of reaction schemes in terms of the maximum rate of elementary reactions, and we outline a procedure to identify kinetically significant transition states and adsorbed intermediates. Here, we explore the application of generalized rate expressions for the prediction of optimal binding energies of important surface intermediates and to estimate the extent of potential rate improvement. We also explore the application of microkinetic modeling in homogeneous catalysis, electro-catalysis, and transient reaction kinetics. We conclude by highlighting the challenges and opportunities in the application of microkinetic modeling for catalyst design.

42 ENGINEERING↗
DOE OSTI2023

The spectra of IceCube Neutrino (SIN) candidate sources – III. Optical spectroscopy and source characterization of the full sample

A correlation between astrophysical high-energy neutrinos and blazars has been suggested by various authors. In particular, a likely association between IceCube events and intermediate- and high-energy peaked BL Lac objects has led to a sample of 47 objects having a high probability of being neutrino sources. In the first paper of this series we reported optical spectroscopy of 17 objects, which together with data taken from the literature covered 80 per cent of the sample. Here, we present spectroscopy obtained at large aperture telescopes of a further 17 objects (plus four additional targets), which completes the sample coverage. For 12 objects we are able to determine the redshift (0.07 < z < 1.6), while for the others we set a lower limit on it, based on either the robust detection of intervening absorption systems or on an estimation derived from the absence of spectral signatures of the host galaxy. With these new data we expand and reinforce the main results of our previous papers, namely the fact that in terms of their broad-band properties our sources appear to be indistinguishable from the rest of the blazar population and the relatively large (>34 per cent and possibly as high as 80 per cent) fraction of masquerading BL Lac objects, for which the low equivalent width of the emission lines is due to the brightness of the boosted continuum, rather than being an intrinsic property, in our sample.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1985

Optimal symmetric flight studies

Several topics in optimal symmetric flight of airbreathing vehicles are examined. In one study, an approximation scheme designed for onboard real-time energy management of climb-dash is developed and calculations for a high-performance aircraft presented. In another, a vehicle model intermediate in complexity between energy and point-mass models is explored and some quirks in optimal flight characteristics peculiar to the model uncovered. In yet another study, energy-modelling procedures are re-examined with a view to stretching the range of validity of zeroth-order approximation by special choice of state variables. In a final study, time-fuel tradeoffs in cruise-dash are examined for the consequences of nonconvexities appearing in the classical steady cruise-dash model. Two appendices provide retrospective looks at two early publications on energy modelling and related optimal control theory.

Weston, A. R.↗
DOE OSTI2020

Understanding of A-site deficiency in layered perovskites: promotion of dual reaction kinetics for water oxidation and oxygen reduction in protonic ceramic electrochemical cells

Protonic ceramic electrochemical cells (PCECs) are promising solid-state energy conversion devices which enable the conversion of energy between electricity and hydrogen at intermediate temperatures. Rapid conversion between chemical and electrical energy via PCEC technology will assist in overcoming grand challenges in energy storage. To achieve highly efficient reversible operation between hydrogen production and electricity generation, boosting water-oxidation and oxygen reduction activities of the oxygen electrode while maintaining the durable operation is one of the early-stage technical opportunities. In this study, an A-site deficient layered perovskite (PrBa 0.8 Ca 0.2 ) 0.95 Co 2 O 6–δ has been developed as an oxygen electrode for a PCEC which presents superior electrochemical performances. The electrolysis current density reached as high as –0.72 A cm –2 at 1.3 V, and a peak power density of 0.540 W cm –2 was obtained at 600 °C in electrolysis and fuel cell mode, respectively. The PCEC with the new electrode shows good durability under practical operating conditions for 160 hours in both operating modes with no observable degradation. Here, the reversibility between the electrolysis and fuel cell mode is also successfully demonstrated.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Investigation of the discontinuous precipitation of U-Nb alloys via thermodynamic analysis and phase-field modeling

U-Nb’s discontinuous precipitation, $\gamma^{bcc}_{matrix}$, $\alpha^{orth}_{cellular}$, $\gamma\prime^{bcc}_{cellular}$, is intriguing in the sense that it allows formation and growth of the metastable $\gamma\prime$ phase during the course of its occurrence. Previous attempts to explain the thermodynamic origin of U-Nb’s discontinuous precipitation hypothesized that the energy of $\alpha$ forms an intermediate common tangent with the first potential of the double-well energy of $\gamma$ at the $\gamma\prime$ composition. In this work, we examine different possible mechanisms by which the discontinuous precipitation product in the U-Nb system can be stabilized. We put forward a mechanism by which the bulk free energy of the $\gamma$ can develop a non-monotonic dependency with composition. Additionally we posit that local contributions due to lattice mismatch between the $\alpha$ and $\gamma$ phases may be responsible for the generation of metastable states that may stabilized by thermodynamics as well as by kinetics. Our work suggests that local misfit strain tends to play a crucial role in the growth of the discontinuous precipitation product. Depending on the magnitude of strain developed at the $\alpha$/$\gamma\prime$ interfaces, either an increasing $\gamma\prime$ composition or a random distribution of $\gamma\prime$ compositions around the equiatomic value with respect to increasing temperature could be expected. Moreover, we show how it is possible to stabilize the discontinuous precipitation front through highly anisotropic and fast interface diffusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1977

Interpretation of the silver L X-ray spectrum

Analysis of the Ag L-series X-ray spectrum has been performed, based on relaxed-orbital relativistic transition-energy calculations. Satellite energies were computed in intermediate coupling. It is found that satellites arising from LN double-hole states generally fall within the natural width of the parent diagram lines. Contrary to previous assumption, the observed high-energy satellites are due to LM double-hole states produced by L1-L3M4,5 Coster-Kronig transitions and by shakeoff. The observed peak structure in the satellite spectrum is due to multiplet splitting of the initial and final double-hole states. Theoretical L1-L3M4,5 transition rates based on the Coster-Kronig energies computed by Chen et al. (1977) are closer to experiment than previous results, but still are too large by a factor of about 2, indicating an as-yet undetected flaw in the theory.

Chen, M. H.↗
DOE OSTI2023

Investigating Spillover Energy as a Descriptor for Single-Atom Alloy Catalyst Design

The identification of thermodynamic descriptors of catalytic performance is essential for the rational design of heterogeneous catalysts. Here, we investigate how spillover energy, a descriptor quantifying whether intermediates are more stable at the dopant or host metal sites, can be used to design single-atom alloys (SAAs) for formic acid dehydrogenation. Further, using theoretical calculations, we identify NiCu as a SAA with favorable spillover energy and demonstrate that formate intermediates produced after the initial O–H activation are more stable at Ni sites where rate-determining C–H activation occurs. Surface science experiments demonstrated that NiCu(111) SAAs are more reactive than Cu(111) while they still follow the formate reaction pathway. However, reactor studies of silica-supported NiCu SAA nanoparticles showed only a modest improvement over Cu resulting from surface coverage effects. Overall, this study demonstrates the potential of engineering SAAs using spillover energy as a design parameter and highlights the importance of adsorbate–adsorbate interactions under steady-state operation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Dark matter detection, Standard Model parameters and Intermediate Scale Supersymmetry

The vanishing of the Higgs quartic coupling at a high energy scale may be explained by Intermediate Scale Supersymmetry, where supersymmetry breaks at (10 9 -10 12 ) GeV. The possible range of supersymmetry breaking scales can be narrowed down by precise measurements of the top quark mass and the strong coupling constant. On the other hand, nuclear recoil experiments can probe Higgsino or sneutrino dark matter up to a mass of 1012 GeV. We derive the correlation between the dark matter mass and precision measurements of standard model parameters, including supersymmetric threshold corrections. The dark matter mass is bounded from above as a function of the top quark mass and the strong coupling constant. The top quark mass and the strong coupling constant are bounded from above and below respectively for a given dark matter mass. We also discuss how the observed dark matter abundance can be explained by freeze-out or freeze-in during a matter-dominated era after inflation, with the inflaton condensate being dissipated by thermal effects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A Prototype Thick-Target Bremsstrahlung Model with Angularly-Dependent Emission in the MCNP6 ® Code

This document summarizes the current thick-target bremsstrahlung (TTB) model in MCNP and provides test results for an alternative implementation to improve the accuracy with reduced cost compared to full electron transport. It has been observed that the current TTB model produces inaccurate results in problems where the medium is thick with respect to electrons, but the photon distribution in the problem has a strong directionality. An example of such a simulation is detectors surrounding a metal target irradiated with a radiographic beam of high energy photons. The primary cause of this discrepancy is the current TTB method emits all bremsstrahlung photons in the same direction as the primary electron produced from each (γ, e ± ) interaction, leading to artificially forward peaked photon distributions for intermediate to high-energy incident photons. To improve the TTB model, we have implemented an angularly-dependent TTB model in a developer version of the MCNP6 ® code; for developers, this was done on the branch prototype/angular_ttb in the mcnp6 repo on bitbucket. The angularly-dependent TTB model accounts for the energy and scattering of electrons as they slow down in the current material, but does not sample the computationally expensive energy straggling, secondary electron events, and tracking electrons; this approach is significantly less computationally expensive than full electron transport and can be comparable to the original TTB method for problems with sufficiently complex materials and geometry. To evaluate the method, we have modeled a simple problem of a beam of 5 MeV photons incident on a sphere of plutonium surrounded by detectors at different deflection angles. For this problem, the angularly-dependent TTB produces a photon flux within 8.0% for a 90 degree deflection angle and 0.8% along the beam axis, as compared to the electron transport solution. This is an improvement compared to a 43% and 81% discrepancy with the original TTB method, respectively. The rest of this work includes the following: the first section details the current TTB treatment in MCNP, which has not been well documented elsewhere. Then, the modified TTB algorithm is detailed and the approximations compared to the condensed history algorithm are compared. Results are given comparing the two TTB methods to the condensed history transport algorithm. The appendix includes details for code developers on relevant electron transport implementation details and potential code improvements for future work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Probing the Sustainable Reduction of CO 2 , N 2 and NO 3 to Fuels and Chemicals using Non-Traditional Porphyrinoid Catalysts

For the last several decades, numerous strategies have been proposed to be able to interconvert electricity and commodity fuels for transportation and other applications. Even as solar and wind energy become more widely available, these renewable energy sources are not always available where the population is most dense or during peak times of energy demand. One plausible solution to the issue of electricity storage and transport is to use electricity to drive the formation of high-energy compounds and chemical fuels. As a result, the electrochemical conversion of CO 2 into chemical fuels has received major attention as a multi-pronged approach for electricity coversion, storage, and transport. Similar strategies are also attractive for conversion of N 2 and NO x into value added compounds such as ammonia. Metalloporphyrin and metallocorrole complexes are comprised of aromatic tetrapyrrole scaffolds and have been extensively studied as homogeneous catalysts for critical catalytic processes like the electrochemical CO 2 reduction reaction (eCO 2 RR) to generate CO as feedstock for the Fischer–Tropsch process to generate a variety of hydrocarbons as chemical fuels. Despite their significance and impact, efficiently driving such catalytic reduction processes is challenging for multiple reasons. Such processes require multiple-electron transfer events, as opposed to single-electron redox chemistry that forms high-energy singly-reduced intermediates. In addition, these electron transfer events must be coupled to proton-transfer steps and avoid application of high overpotentials where proton (H + ) reduction to generate H 2 (as well as other side-reactions) can lower the selectivity and energy efficiency of the eCO 2 RR process. Certain Fe(III) aromatic tetrapyrroles (e.g., porphyrins and corroles) have been reported to overcome these challenges, but are often difficult to synthesize and modify, and have a tendency to support single-electron redox chemistry at the metal as opposed to multielectron redox involving the ligand and metal in concert. Other families of tetrapyrroles in which all four meso-carbons are reduced (i.e., sp 3 -hybridized) are also known in the literature. These non-aromatic tetrapyrroles are known as porphyrinogens and support multi-electron redox chemistry which has been elaborated by several groups, prompting researchers to consider whether these scaffolds may improve the kinetics and efficiencies of multi-electron steps attendant to activation of thermodynamically stable small-molecule substrates such as CO 2 , N 2 , NO 3 − , and NO 2 − . Although porphyrinogens support multi-electron redox properties, the four sp 3 -hybridized meso-carbons inherent to the tetrapyrrole core completely disrupt π-conjugation between pyrrolic units, which compromises the photochemical properties of porphyrinogens in comparison to that of traditional porphyrinoids. Moreover, the highly reducing nature of porphyrinogens predisposes these platforms to extreme air and water sensitivity. Accordingly, such metalated porphyrinogens are often pyrophoric and/or incompatible with many common organic solvents (CH 2 Cl 2 , CHCl 3 , CH 3 CN, EtOAc, etc.). Hence, reports of efficient small-molecule activation or catalysis supported by porphyrinogens have been limited. To overcome the instability of porphyrinogens while retaining the scaffold’s attractive multi-electron redox properties, we have directed attention to establishing less-well studied groups of non-aromatic tetrapyrroles (i.e., phlorins, biladienes, and isocorroles). These non-traditional tetrapyrroles each contain just a single sp 3 -hybridized meso-carbon, which ablates the platforms aromaticity but still provides an extended π-framework. In addition to developing innovative platforms that may be used to sustainably generate value-added chemicals, fuels, and ammonia via either photo- or electrocatalytic approaches our work also has significantly broadened our understanding of how to prepare and modulate the properties of non-aromatic tetrapyrroles for other applications. Our efforts entailed a synergistic partnership and active collaborations with Drs. David C. Grills and Mehmed Z. Ertem (both of Brookhaven National Lab) to better characterize isocorroles (and related non-aromatic tetrapyrroles) using a variety of advanced spectroscopic and theoretical methods. Our combined efforts have shown that the combination of properties that isocorroles (and related tetrapyrroles) provide results in good chemical stability paired with unique redox and photochemical characteristics that are not typically supported by simple and/or unadorned aromatic tetrapyrroles. Beside redox chemistry, the photochemistry of isocorroles and other non-aromatic tetrapyrroles containing one sp 3 -hybridized meso-carbon is also appealing due to their absorption in the long-visible to near-IR regions, which are essential for photocatalysis and related applications that benefit from direct excitation at these wavelengths. The results reported vastly improve our understanding of non-aromatic tetrapyrrole synthesis, properties and utility for activation of small molecule substrates such as O 2 and CO 2 in the presence of weak cationic organic acids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Ion-Molecule Reactions and Ion Kinetics in DC Townsend Discharges in Dielectric Gases

In gas discharges the identify, transport, relative intensities, and kinetic energy distributions (KEDs) of ions may be dominated by ion-molecule reactions. In order to understand these discharges, there is a need for cross section data for various ion-molecule reactions, including symmetric and asymmetric charge-transfer, collisional detachment, and ion conversion reactions, especially for low to intermediate ion-impact energies. In view of the importance of dielectric gases, we have recently measured the KEDs of various positive and negative ions produced in DC Townsend discharges in SF6, CF4, CHF3, O2, and CO2. The relative abundance and mean energies of ions are obtained from the measured KEDs. The effective cross sections (Qeff) describing the KEDs of various ions can be derived by using the mean ion energies and the electric field-to-gas density ratios (E/N). In the case of SF6 and O2 discharges, the determined cross sections (Qeff) for the negative-ion molecule reactions are consistent with previously measured cross section data obtained by crossed-beam experiment. The availability of these cross section values enabled us to understand the ion data reasonably well. However, the lack of adequate cross section data for positive ions in all of the above gases is a major obstacle in understanding ion transport in these gas discharges.

Rao, M. V. V. S.↗
DOE OSTI2022

Gen3 Gas Phase System Development and Demonstration (Final Technical Report)

Work undertaken in this project seeks to transform the current baseline technology – which is a collection of related but separately developed components and concepts – into a unified and operating test facility and an accompanying preliminary commercial design. This project is motivated by the primary goal of developing a system to absorb concentrated solar energy and deliver it into thermal energy storage at temperatures above 700°C, thereby enabling integration with a high-efficiency supercritical carbon dioxide (sCO 2 ) power cycle to achieve or exceed a levelized cost of electricity (LCOE) target of 6 ¢ per kilowatt-hour electric (kW e -hr). The proposed baseline solution utilizes a high-temperature gas phase (GP) system interfacing with a two-tank particle thermal energy storage (TES) and intermediate heat exchangers to supply sCO 2 at 20-25 megapascals (MPa) and 700°C at the turbine inlet.

14 SOLAR ENERGY↗
DOE OSTI2023

Mechanistic Insights into the Catalytic Condensation of Methyl Ketones on MgO Surfaces

Ketone coupling via aldol condensation is one of the promising routes to produce cyclic and value-added precursors for renewable hydrocarbon biofuels. A first-principles-based microkinetic modeling is performed to evaluate the surface-mediated reaction mechanisms and the role of water molecules in the observed activities for 2-pentanone and 3-pentanone aldol condensation on dehydroxylated MgO(111) surface and hydroxylated terminated surface[OH-MgO(111)]. Here, we have identified the enhancement of the surface OH group to MgO(111) surface catalytic activity by destabilizing the binding strength of reaction intermediates and reducing the energy barriers of rate-determining steps(proton transfer and dehydration steps). The 2-pentanone has one elementary step less in the complete reaction mechanism of aldol condensation and preferable energy barrier for proton transfer and dehydration steps, revealing 2-pentanone as terminal ketone is more reactive than 3-pentanone as central ketone. The water molecules dominated the OH-MgO( 111) surface after further addition of water, leading to the reduction of turnover frequency of the aldol condensation dimer product as the loss of aldol condensation reaction intermediates in competitive adsorption with water molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Impacts in Ice: Commissions of Solar System Crater Populations

The classical phases of cratering are compression, excavation, and modification. Recent theory, however, supports and alternative sequence of physical events: (1) coupling - energy and momentum are transferred, and the cratering flow field is set up; (2) power-law-growth the flow field expands, with transient cavity dimensions expressible as a simple power law function of time; and (3) late phase - some combination of gravity, strength, and viscosity limits cavity growth, initially causing a deviation from power-law behavior and eventually determining the size and shape of the final (transient) crater. The dominant mechanism that limits cavity growth defines a cratering regime and a single variable, the coupling parameter, determines the scaling laws in the various regimes. The coupling parameter is intermediate in dimensionality between energy and momentum and its exact form is determined. For simple materials with rate and scale independent strength, the transition crater diameter between the strength and gravity regimes is, within reasonable bounds, independent of velocity. Even the smallest craters observed by Voyager appear to be gravity dominated.

Mckinnon, W. B.↗