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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

In-Space Cryogenic Propellant Depot Potential Commercial and Exploration Applications

The key goals and objectives for an In-Space Cryogenic Propellant Depot are to support a safe, reliable, affordable and effective future human and robotic space exploration initiative. Previous studies have been conducted at the NASA Marshall Space Flight Center to determine technical requirements and feasibility for exploration and commercial potential of an in-space cryogenic propellant depot in low-Earth-orbit (LEO), low-Lunar orbit (LLO) and/or on the lunar surface. Results indicate that in-space cryogenic propellant depots are technically feasible given continued technology development and that there is a substantial growing market that depots could support. Systems studies showed that the most expensive part of transferring payloads to geo-synchronous-orbit (GEO) is the fuel. A cryogenic propellant production and storage depot stationed in LEO could lower the cost of missions to GEO and beyond. Propellant production separates water into hydrogen and oxygen through electrolysis. This process requires large amounts of power which is enabled by Space Solar Power technologies. Recent analysis indicate that in the coming decades there could be a significant demand for water-based propellants from Earth, moon, or asteroid resources if in-space transfer vehicles (upper stages) transitioned to reusable systems using water based propellants. This type of strategic planning move could create a substantial commercial market for space resources development, and ultimately lead toward significant commercial infrastructure development within the Earth-Moon system.

Howell, Joe T.↗
NASA NTRS2009

Synthetic and Biomass Alternate Fueling in Aviation

Must use earth's most abundant natural resources - Biomass, Solar, Arid land (43%), Seawater (97%) with nutrients (80%) plus brackish waters and nutrients resolve environmental triangle of conflicts energy-food-freshwater and ultrafine particulate hazards. Requires Paradigm Shift - Develop and Use Solar* for energy; Biomass for aviation and hybrid-electric-compressed air mobility fueling with transition to hydrogen long term.

Hendricks, Robert C.↗
NASA NTRSDate not supplied

Developing Radiation Protection Garments with Additive Manufacturing

The RadWorks Wearable Technology team is dedicated to developing protective garments to ameliorate the effects of radiation caused by Solar Particle Events (SPEs). This work requires that we remain open to new avenues for processing hydrogen-rich materials that may be useful in the development of these protective garments. The purpose of this research was to identify new ways of processing polyolefin polymers (polypropylene, more specifically) with additive manufacturing techniques. First, we conducted a literature review to identify known problems with processing polypropylene using additive manufacturing. Then, we looked toward finding ways to manage these difficulties within the additive manufacturing process. The primary goal was to develop techniques for processing polypropylene in a way that would generate a product amenable to inclusion in a worn garment (e.g., flexible, strong, and with ample radiation protection). In the end, we were able to generate designs which addressed polypropylene’s high coefficient of thermal expansion and lack of material adhesion, while meeting the requirements set forth by the use-case for wearable technology. This research offers novel avenues for processing one of the most common plastics in the world, which could contribute to the development of protective garments, as well as new avenues to explore for additive manufacturing in low-gravity environments.

Additive Manufacturing, 3D Printing, Polypropylene↗
NASA NTRS1988

Temporal variation of the Jovian H I Lyman alpha emission (1979-1986)

The results of long-term monitoring of the Jovian Lyman-alpha brightness with the IUE are presented. The measurements span the current solar cycle from maximum in late 1979 to the present period of minimum solar activity. The long-term variation seen in the brightness during the declining phase of the cycle matches the decrease in the solar Lyman-alpha flux during this period and is significantly smaller than the variability implied by Pioneer 10 for the first half of the cycle. The hydrogen bulge, a region of enhanced and variable Lyman-alpha emission located near magnetic longitude 100 deg, has been a persistent feature of the Jovian upper atmosphere throughout the eight-year period of the observations, and the average bulge intensity has also followed the solar cycle decrease in Lyman-alpha. Implications for the Jovian upper atmosphere and the electroglow phenomenon on Jupiter during the observational period are discussed.

Skinner, T. E.↗
NASA NTRS1984

Hydrogen production rate from comet Austin 1982g

Meaningful measurements with respect to the cometary Balmer-alpha (H-alpha) emission are difficult and require the use of special equipment. The first ground-based observations of H-alpha emission from a cometary hydrogen corona were conducted on comet Kohoutek 1973 XII with a large-aperture Fabry-Perot spectrometer installed at the McMath solar telescope at Kitt Peak National Observatory. The present investigation is concerned with the second ground-based observations of cometary H-alpha emission carried out during the apparition of comet Austin 1982g. A 150 mm dual-etalon Fabry-Perot spectrometer was employed in the experiment. Use was made of an observatory which is designed for the high spectral resolution study of faint extended sources such as interstellar and geocoronal emission lines. The investigation demonstrates that hydrogen production rates from comets as faint as about 7th magnitude can be routinely measured from the ground at minimal cost.

Shih, P.↗
NASA NTRS1987

Crystal-liquid-vapor equilibrium experiments at high temperature (less than or equal to 1800 C) and low, controlled oxygen and hydrogen pressure (10(-1) to 10(-9) PA)

Evidence from carbonaceous chrondrites points to refractory oxides in the system CaO-MgO-Al2O3-TiO2-SiO2-Fe-O as being among the earliest phases to condense from the solar nebula. It is necessary to establish the equilibrium relationships between the relevant crystalline and amorphous phases before the chemical constraints can be meaningfully applied to models of solar system history. Preliminary experiments on earth show that such experiments are feasible. Earth-based experiments suffer from several unavoidable problems. These problems can be overcome by experimentation in the Space Station where the experiments can be conducted under near static pressure conditions and where total pressure equals the sum of controlled hydrogen and oxygen pressures and can be controlled for periods exceeding several hours.

Mysen, B. O.↗
NASA NTRS1998

Analysis of IUE Observations of Hydrogen in Comets

The 15-years worth of hydrogen Lyman-alpha observations of cometary comae obtained with the International Ultraviolet Explorer (IUE) satellite had gone generally unanalyzed because of two main modeling complications. First, the inner comae of many bright (gas productive) comets are often optically thick to solar Lyman-alpha radiation. Second, even in the case of a small comet (low gas production) the large IUE aperture is quite small as compared with the immense size of the hydrogen coma, so an accurate model which properly accounts for the spatial distribution of the coma is required to invert the infrared brightnesses to column densities and finally to H atom production rates. Our Monte Carlo particle trajectory model (MCPTM), which for the first time provides the realistic full phase space distribution of H atoms throughout the coma has been used as the basis for the analysis of IUE observations of the inner coma. The MCPTM includes the effects of the vectorial ejection of the H atoms upon dissociation of their parent species (H2O and OH) and of their partial collisional thermalization. Both of these effects are crucial to characterize the velocity distribution of the H atoms. This combination of the MCPTM and spherical radiative transfer code had already been shown to be successful in understanding the moderately optically thick coma of comet P/Giacobini-Zinner and the coma of comet Halley that varied from being slightly to very optically thick. Both of these comets were observed during solar minimum conditions. Solar activity affects both the photochemistry of water and the solar Lyman-alpha radiation flux. The overall plan of this program here was to concentrate on comets observed by IUE at other time during the solar cycle, most importantly during the two solar maxima of 1980 and 1990. Described herein are the work performed and the results obtained.

Combi, Michael R.↗
DOE OSTI2022

Influence of Polar Mutations on the Electronic and Structural Properties of Q A –· in Bacterial Reaction Centers

Reaction centers from Rb. sphaeroides with residue M265 mutated from isoleucine to threonine, serine, and asparagine (M265IT, M265IS, and M265IN, respectively) in the Q A –· state are studied by high-resolution ESEEM and ENDOR spectroscopies to investigate the structural characteristics of these mutants influencing the redox properties of the Q A site. All three mutants decrease the redox midpoint potential (E m ) of Q A by ~0.1 V, yet the mechanism for this drop in E m is unclear. In this work, we examine (i) the hydrogen bonding interactions between Q A –· and residues histidine M219 and alanine M260, (ii) the electron spin density distribution of the semiquinone, and (iii) the orientations of the ubiquinone methoxy substituents. 13 C measurements show no significant contribution of methoxy dihedral angles to the observed decrease in E m for the Q A mutants. Instead, 14 N three-pulse ESEEM data suggest electrostatic or hydrogen bond formation between the mutated M265 side chain and His-M219 N δ may be involved in the observed lowering of the Q A midpoint potential. For mutant M265IN, analysis of the proton hyperfine couplings reveals a weakened hydrogen bond network, resulting in an altered Q A –· spin density distribution. Here, the magnetic resonance study presented here is therefore most consistent with an electrostatic or structural perturbation of the His-M219 N δ hydrogen bond in these mutants as a mechanism for the ~0.1 V decrease in Q A E m .

14 SOLAR ENERGY↗
NASA NTRS2016

Atmospheric Mining in the Outer Solar System: Outer Planet Orbital Transfer and Lander Analyses

High energy propellants for human lunar missions are analyzed, focusing on very advanced ozone and atomic hydrogen. One of the most advanced launch vehicle propulsion systems, such as the Space Shuttle Main Engine (SSME), used hydrogen and oxygen and had a delivered specific impulse of 453 seconds. In the early days of the space program, other propellants (or so called metapropellants) were suggested, including atomic hydrogen and liquid ozone. Theoretical and experimental studies of atomic hydrogen and ozone were conducted beginning in the late 1940s. This propellant research may have provided screenwriters with the idea of an atomic hydrogen-ozone rocket engine in the 1950 movie, Rocketship X-M. This paper presents analyses showing that an atomic hydrogen-ozone rocket engine could produce a specific impulse over a wide range of specific impulse values reaching as high as 1,600 seconds. A series of single stage and multistage rocket vehicle analyses were conducted to find the minimum specific impulse needed to conduct high energy round trip lunar missions.

lunar mission design↗
DOE OSTI2022

Hydrogen Storage for Flexible Fossil Fuel Power Generation: Integration of Underground Hydrogen Storage with Gas Turbine (Final Report)

As the nation continues to encourage, through market structures and financial incentives, the proliferation of intermittent renewable electricity, how to optimize the ever-changing electric grid and identify means to retain and improve resilience, while ensuring continued reductions in GHG emissions, will be critical. According to Bloomberg, wind & solar generated 10.5% of US electricity in 2020 and that percentage continues to grow. In support of expanding renewable energy use, and to address its intermittent nature, this project will develop the Hydrogen Storage for Flexible Fossil Fuel Power Generation platform that is dispatchable, reliable, repeatable and have the ability to produce zero or negative carbon power while interfacing with geology capable of CO2 and hydrogen storage. GTI Energy (GTIE) and team members Illinois State Geological Survey (ISGS), Mitsubishi Heavy Industries America (MHIA), Ameren Illinois, Hexagon Purus, and the Low Carbon Resources Initiative (LCRI) completed a Phase I Conceptual Study under contract DE-FE0032012 for Hydrogen Storage for Flexible Fossil Fuel Power Generation: Integration of Underground Hydrogen Storage with Gas Turbine. The Hydrogen Storage for Flexible Fossil Fuel Power Generation platform addresses the intermittent nature of the expanding use of Variable Renewable Energy (VRE) generation. The low cost of the electricity (COE) generated results in greater dispatch and more operation at higher power levels (higher efficiency), fewer short intervals, and fewer start/stop cycles. The reliable, resilient system can produce zero carbon power and store hydrogen. It will demonstrate hydrogen storage in geologic formations like those used in natural gas underground storage thus enabling large scale storage of hydrogen in sedimentary strata across the United States rather than in geographically restricted salt caverns. The Phase I study confirmed the system is feasible and generates power at lower cost than other low carbon approaches. The demonstration defines the pathway for broad commercial application and will accelerate the development of larger systems suitable for centralized utility scale electricity production. The study advanced the maturity of the H 2 storage-based system with flexible power generation by completing a Pre-FEED study (Phase II). The Pre-FEED focused on the selected Energy Farm on the University of Illinois Urbana-Champaign (UIUC) site that includes above ground and underground hydrogen storage, low-carbon hydrogen production (GTI’s Compact Hydrogen Generator, CHG) with underground CO2 sequestration, and a 40-MW class gas turbine. The Pre-FEED addressed the entire system and its interconnection to the natural gas and electric grid and mitigation of key risks, such as storage behavior, load-following, and system operation. During Phase 1 of the project, the team completed key tasks, which moved the entire demonstration project, specific components and approaches closer to commercialization. These Phase I Accomplishments include: Completing System Requirements Review; Completing System Layout and Modeling - Heat & Mass Balance and Process Flow Diagram; Completing modelling of 9 turbine performance cases; Evaluating rock strata for underground storage of hydrogen and sequestration of carbon dioxide; Completing initial modelling of underground storage of hydrogen and withdrawal with evaluation of loss and water production; Identifying roadable storage for above ground hydrogen storage; Identifying existing electrical infrastructure for receiving/delivering electricity; Identifying existing gas supply infrastructure for receiving natural gas; Document concept design/development plans in required reports. Conclusions: The 12-month Feasibility study in Phase I study was completed and confirmed the system is feasible and generates power at lower cost than other low carbon approaches and even lower cost than the reference NGCC plant without carbon capture when taking advantage of 45Q carbon credits. The study enabled the fidelity of the concept to be improved and allowed identification of the requirements for the system. Defining the individual system and component requirements was performed via the system requirements review with the whole team. These requirements were then incorporated into and iterated with our Heat & Mass Balance process model and process flow diagrams were generated to reflect the overall system. This information was then used to complete the TEA and show economic feasibility. Large scale non-salt geologic storage of hydrogen is an enabling technology for a hydrogen-fired turbine that can be retrofitted into large-scale electric generating units (EGU). Our demonstration will include 428 MWh or ~4 hours full load of hydrogen storage (above and underground). Carbon capture inherent to the CHG process can capture 90% CO 2 (with upgrades to >98%). This system provides a COE of 23% savings relative to an NGCC with a post combustion amine system. Our proposed storage system decouples carbon capture and hydrogen production from power production; therefore, we expect our proposed system’s efficiency and variable COE to be superior resulting in overall higher dispatch and reduced deep cycling. Our demonstration will be full to multi-day hydrogen storage and has the potential for longer (seasonal) duration commercially. The demonstration defines the pathway for broad commercial application and will accelerate the development of larger systems suitable for centralized utility scale electricity production.

03 NATURAL GAS↗
NASA NTRS1971

Models of the quiet and active solar atmosphere from Harvard OSO data.

Review of some Harvard Observatory programs aimed at defining the physical conditions in quiet and active solar regions on the basis of data obtained from the OSO-IV and OSO-VI spacecraft. The spectral range covered is from 300 A to 1400 A. This spectral range consists of emission lines and continua from abundant elements such as hydrogen, helium, carbon, nitrogen, oxygen, silicon, magnesium, aluminum, neon, iron, and calcium in various ionization states ranging from neutral to 15 times ionized. The structure is discussed of the quiet solar atmosphere as deduced from center-to-limb behavior of spectral lines and continua formed in the chromosphere and corona. In reviewing investigations of solar active regions, it is shown that the structure of these regions varies in a complicated manner from point to point. The local structure is influenced by factors such as the magnetic field configuration within the active region and the age or evolutionary state of the region.

Noyes, R. W.↗
NASA NTRS1986

Molecular hydrogen in the young starburst in NGC 253

Shocked molecular hydrogen has been observed around the nucleus of the nearby galaxy, NGC 253. This galaxy has a relatively modest luminosity (approx. 3 x 10 to the 10th power solar luminosities) and appears to have no distortions or companions that would indicate a possible interaction. The energy of the galaxy appears to be derived primarily from a starburst. Thus, our observations have caused us to examine the starburst process in some detail to identify how the molecular hydrogen is excited. It is proposed that the molecular hydrogen emission is produced by collisions of dense molecular clouds accelerated by supernovae explosions. Within the nucleus, this process occurs early in the life of the starbust. This suggest a sequence of nuclear starburst development; examples along this sequence from young to old would include NGC 253, M82, NGC 1097, and M31.

Rieke, G. H.↗
NASA NTRS1993

Analysis of IUE observations of hydrogen in comets

The large body of hydrogen Lyman-alpha observations of cometary comae obtained with the International Ultraviolet Explorer satellite has gone generally unanalyzed because of two main modeling complications. First, the inner comae of many bright (gas productive) comets are often optically thick to solar Lyman-alpha radiation. Second, even in the case of a small comet (low gas production) the large IUE aperture is quite small as compared with the immense size of the hydrogen coma, so an accurate model which properly accounts for the spatial distribution of the coma is required to invert the inferred brightnesses to column densities and finally to H atom production rates. Our Monte Carlo particle trajectory model (MPTM), which for the first time provides the realistic full phase space distribution of H atoms throughout the coma was used as the basis for the analysis of IUE observations of the inner coma. The MCPTM includes the effects of the vectorial ejection of the H atoms upon dissociation of their parent species (H2O and OH) and of their partial collisional thermalization. Both of these effects are crucial to characterize the velocity distribution of the H atoms. A new spherical radiative transfer calculation based on our MCPTM was developed to analyze IUE observations of optically thick H comae. The models were applied to observations of comets P/Giacobini-Zinner and P/Halley.

Combi, Michael R.↗
NASA NTRS2017

Transformers for Lunar Extreme Environments: Ensuring Long-Term Operations in Regions of Darkness and Low Temperatures: II - Phase

This report shows how solar power could enable robotic operations in permanently shaded regions at lunar poles, to extract water ice and further produce liquid hydrogen and oxygen (LH2/LO2) propellant. The power needs are derived from an Architecture for Human Exploration of Mars based entirely on lunar propellant. The extraction of 10 metric tons of water per day (at 10% water in regolith) requires approx. 0.6 MW thermal power. Additional approx. 2 MW electric power are required to produce 7.5 metric tons of LH2/LO2 propellant per day, as needed by the architecture. To provide power to processing equipment inside Shackleton Crater, optimal locations are determined on the crater rim, from which several reflecting TransFormers (TFs) would redirect sunlight, achieving a combined period of illumination of approx. 99% of the year. A single 40-m diameter reflector could provide up to 1 MW solar power. Inflatable rigidizable tower support structures raise reflectors above ground for better solar exposure. There are trade-offs: e.g., two reflectors at ground level would provide the same combined total illumination as a single tower approx. 100-m tall. Such a TF based on a 100-m tower made with inflatable 2-m beams and 40-m diameter reflectors would be of similar dimensions as an MSL-class rover (approx. 1000 kg, 10 m(exp 3)). A TF-prospector rover combo could be designed and deployed in a Discovery-class mission searching for water. The TransFormers would be nodes of a Lunar Utilities Infrastructure that provides solar power year-round in the proximity of the pole, as well as local data transmission andintermittent direct to earth communications. This infrastructure would be instrumental infacilitating the development of a lunar economy.

fuel↗
NASA NTRS2021

Hydrogen Abundance and Distribution on (101955) Bennu

Asteroids were likely a major source of volatiles and water to early Earth. Quantifying the hydration of asteroids is necessary to constrain models of the formation and evolution of the Solar System and the origin of Life on Earth. The OSIRIS-REx (Origins, Spectral Interpretation, Resource Identification, and Security–Regolith Explorer) mission showed that near-Earth asteroid (101955) Bennu contains widespread, abundant hydrated phyllosilicates, indicated by a ubiquitous absorption at ~ 2.7 μm. The objective of this work is to quantify the hydration—that is, the hydrogen content—of phyllosilicates on Bennu's surface and investigate how this hydration varies spatially. We analyse spectral parameters (normalized optical path length, NOPL; effective single-scattering albedo, ESPAT; and Gaussian modeling) computed from the hydrated phyllosilicate absorption band of spatially resolved visible–near-infrared spectra acquired by OVIRS (the OSIRIS-REx Visible and InfraRed Spectrometer). We also computed the same spectral parameters using laboratory-measured spectra of meteorites including CMs, CIs, and the ungrouped C2 Tagish Lake. We estimate the mean hydrogen content of water and hydroxyl groups in hydrated phyllosilicates on Bennu's surface to be 0.71 ± 0.16 wt%. This value is consistent with the hydration range of some aqueously altered meteorites (CMs, C2 Tagish Lake), but not the most aqueously altered group (CIs). The sample collection site of the OSIRIS-REx mission has slightly higher hydrogen content than average. Spatial variations in hydrogen content on Bennu's surface are linked to geomorphology, and may have been partially inherited from its parent body.

A. Praet↗
NASA NTRS1980

Lyman-alpha observations in the vicinity of Saturn with Copernicus

For the first time, high-resolution Ly-alpha observations of the Saturn vicinity were completed with the Princeton spectrometer on board the Copernicus satellite. They showed that near a minimum solar activity the emissions related to several sources are 250 + or - 50 rayleighs for the interplanetary medium in a near-downwind direction, less than 100 rayleighs for the rings, 200 + or - 100 rayleighs for a torus linked to the Titan orbit, and 1400 + or - 450 rayleighs for the disk of Saturn. These results induce some constraints through the corresponding theoretical evaluations: the B ring as the primary source of the atoms for the ring emissions; an efficient production mechanism for hydrogen atoms in the Titan torus; and a slightly larger eddy diffusion coefficient in the Saturn atmosphere than in the Jupiter atmosphere near solar minimum.

Barker, E.↗
DOE OSTI2020

Basal Plane Hydrogen Evolution Activity from Mixed Metal Nitride MXenes Measured by Scanning Electrochemical Microscopy

2D early transition metal carbide and nitride MXenes have intriguing properties for electrochemical energy storage and electrocatalysis. These properties can be manipulated by modifying the basal plane chemistry. Here, mixed transition metal nitride MXenes, M-Ti 4 N 3 T x (M = V, Cr, Mo, or Mn; T x = O and/or OH), are developed by modifying pristine exfoliated Ti 4 N 3 T x MXene with V, Cr, Mo, and Mn salts using a simple solution-based method. The resulting mixed transition metal nitride MXenes contain 6–51% metal loading (cf. Ti) that exhibit rich electrochemistry including highly tunable hydrogen evolution reaction (HER) electrocatalytic activity in a 0.5 m H 2 SO 4 electrolyte as follows: V-Ti 4 N 3 T x > Cr-Ti 4 N 3 T x > Mo-Ti 4 N 3 T x > Mn-Ti 4 N 3 T x > pristine Ti 4 N 3 T x with overpotentials as low as 330 mV at -10 mA cm -2 with a charge-transfer resistance of 70 O. Scanning electrochemical microscopy (SECM) reveals the electrochemical activity of individual MXene flakes. The SECM data corroborate the bulk HER activity trend for M-Ti 4 N 3 T x as well as provide the first experimental evidence that HER results from catalysis on the MXene basal plane. These electrocatalytic results demonstrate a new pathway to tune the electrochemical properties of MXenes for water splitting and related electrochemical applications.

2D materials↗
DOE OSTI2020

Developing Scaling Relationships for Molecular Electrocatalysis through Studies of Fe-Porphyrin-Catalyzed O 2 Reduction

The oxygen reduction reaction (ORR) is a multiproton/multielectron transformation in which dioxygen (O 2 ) is reduced to water or hydrogen peroxide and serves as the cathode reaction in most fuel cells. The ORR (O 2 + 4e – + 4H + → 2H 2 O) involves up to nine substrates and thus requires navigating a complicated reaction landscape, typically with several high-energy intermediates. Many catalysts can perform this reaction, though few operate with fast rates and at low overpotentials (close to the thermodynamic potential). Attempts to optimize these parameters, both in homogeneous and heterogeneous electrocatalytic systems, have focused on modifying catalyst design and understanding kinetic/thermodynamic relationships between catalytic intermediates. One such method for analyzing and predicting catalyst reactivity and efficiency has been the development of “molecular scaling relationships”. In this work, we share our experience deriving and utilizing molecular scaling relationships for soluble, iron-porphyrin-catalyzed O 2 reduction in organic solvents. These relationships correlate turnover frequencies (TOF max ) and effective overpotentials (η eff ), properties uniquely defined for homogeneous catalysts. Following a general introduction of scaling relationships for both homogeneous and heterogeneous electrocatalysis, we describe the components of such scaling relationships: (i) the overall thermochemistry of the reaction and (ii) the rate and rate law of the catalyzed reaction. We then show how connecting these thermodynamic and kinetic parameters reveals multiple molecular scaling relationships for iron-porphyrin-catalyzed O 2 reduction. For example, the log(TOF max ) responds steeply to changes in ηeff that result from different catalyst reduction potentials (18.5 decades in TOF max /V in η eff ) but much less dramatically to changes in η eff that arise from varying the pKa of the acid buffer (5.1 decades in TOF max /V in η eff ). Thus, a single scaling relationship is not always sufficient for describing molecular electrocatalysis. This is particularly evident when the catalyst identity and reaction conditions are coupled. Using these multiple scaling relationships, we demonstrate that the metrics of turnover frequency and effective overpotential can be predictably tuned to achieve faster rates at lowered overpotentials. This Account uses a collection of related stories describing our research on soluble iron-porphyrin-catalyzed ORR to show how molecular scaling relationships can be derived and used for any electrocatalytic reaction. Such scaling relationships are powerful tools that connect the thermochemistry, mechanism, and rate law for a catalytic system. We hope that this collection shows the utility and simplicity of the molecular scaling approach for understanding catalysis, for enabling direct comparisons between catalyst systems, and for optimizing catalytic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗