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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

Methanol Droplet Combustion in Oxygen-Inert Environments in Microgravity

The Flame Extinguishment (FLEX) experiment that is currently underway in the Combustion Integrated Rack facility onboard the International Space Station is aimed at understanding the effects of inert diluents on the flammability of condensed phase fuels. To this end, droplets of various fuels, including alkanes and alcohols, are burned in a quiescent microgravity environment with varying amounts of oxygen and inert diluents to determine the limiting oxygen index (LOI) for these fuels. In this study we report experimental observations of methanol droplets burning in oxygen-nitrogen-carbon dioxide and oxygen-nitrogen-helium gas mixtures at 0.7 and 1 atmospheric pressures. The initial droplet size varied between approximately 1.5 mm and 4 mm to capture both diffusive extinction brought about by insufficient residence time at the flame and radiative extinction caused by excessive heat loss from the flame zone. The ambient oxygen concentration varied from a high value of 30% by volume to as low as 12%, approaching the limiting oxygen index for the fuel. The inert dilution by carbon dioxide and helium varied over a range of 0% to 70% by volume. In these experiments, both freely floated and tethered droplets were ignited using symmetrically opposed hot-wire igniters and the burning histories were recorded onboard using digital cameras, downlinked later to the ground for analysis. The digital images yielded droplet and flame diameters as functions of time and subsequently droplet burning rate, flame standoff ratio, and initial and extinction droplet diameters. Simplified theoretical models correlate the measured burning rate constant and the flame standoff ratio reasonably well. An activation energy asymptotic theory accounting for time-dependent water dissolution or evaporation from the droplet is shown to predict the measured diffusive extinction conditions well. The experiments also show that the limiting oxygen index for methanol in these diluent gases is around 12% to 13% oxygen by volume.

Nayagam, Vedha↗
NASA NTRS2019

Two-Stage Autoignition Dynamics of N-Dodecane Droplets Under Normal Gravity at High Pressures

Experimental observations of two-stage, autoignition characteristics of fiber-supported, n-dodecane fuel droplets under normal gravity are reported for a wide range of ambient temperatures, and pressures varying from 1 atm to 25 atm, which encompasses the fuel critical pressure (~ 18 atm). A high-speed camera is used to obtain backlit images of the autoignition process. During two-stage ignition, a cool-flame front forms below the droplet in the natural convective plume of the fuel vapor originating from the vaporizing droplet, and propagates upward, followed by the formation of a hot-flame kernel that expands rapidly and surrounds the droplet, eventually leading to the classical diffusion flame. Experimentally measured cool, and hot flame formation locations and propagation speeds are presented for varying initial temperatures and pressures. Measured first, and second stage ignition delay times are also reported. The influences of negative temperature coefficient (NTC) regime chemistry on flame starting location, propagation speeds, and ignition delay times are described. The first-stage cool flame characteristics are found to be controlled by both the chemistry, and physical aspects such as droplet evaporation and fuel-oxidizer mixing, while the second-stage hot flame ignition is primarily controlled by chemical kinetics. Further work is currently underway to develop models to quantitatively predict the observed behavior.

Rose, Evan↗
DOE OSTI2014

PREPARATION AND TESTING OF CORROSIONAND SPALLATION-RESISTANT COATINGS

This Energy & Environmental Research Center (EERC) project is designed to determine if plating APMT®, a specific highly oxidation-resistant oxide dispersion-strengthened FeCrAl alloy made by Kanthal, onto nickel-based superalloy turbine parts is a viable method for substantially improving the lifetimes and maximum use temperatures of the parts. The method for joining the APMT plate to the superalloys is called evaporative metal bonding and involves placing a thin foil of zinc (Zn) between the plate and the superalloy, clamping them together, and heating in an atmosphere-controlled furnace. Upon heating, the Zn melts and dissolves the oxide skins of the alloys at the bond line, allowing the two alloys to diffuse into each other. The Zn then diffuses through the alloys and evaporates from their surfaces. Laboratory testing to determine the diffusion rate of Zn through the alloys has been completed. However, an analytical solution does not exist to model the diffusion of zinc through the alloys. For this reason, a finite difference algorithm using MATLAB was developed. It makes use of the hopscotch algorithm. The model allows the user to specify the dimensions of the metal parts, the Zn concentration at the bondline, the mesh size, time step, and Zn diffusivity. The experimentally measured values of diffusivity for Zn in APMT and Rene 80/CM 247LC are approximately 2.7 × 10-12 and 4 × 10-14 m2/s, respectively. While the qualitative behavior of the model appears correct, a comparison of the diffusion predictions with the experimental results from earlier in the project indicates that the expected Zn concentration is significantly higher than that measured experimentally. The difference depends on the assumed initial concentration, which is difficult to quantify exactly under experimental conditions for t = 0. In addition to the diffusion work, the coefficients of thermal expansions were determined for each of the alloys as a function of temperature. This information has been entered into a finite element model using ANSYS so that appropriate force-applying structures can be designed for use in joining structures composed of APMT and the nickel alloys. Finite element modeling has been performed to finalize the fabrication geometry for the corrosion-testing phase. The addition of another bolt increases stress uniformity away from the region where the clamping is applied. It appears that a bolt spacing of approximately 25 mm in each jig is appropriate. This will allow the fabrication of 50-mm-wide sections of joints for the corrosion-testing task. Gasifier sampling activities continue to determine what types of trace contaminants may occur in cleaned syngas that could lead to corrosion or deposition in turbines firing coal syngas. The EERC has several pilot-scale gasifiers that are continually used in a variety of test configurations as determined by the needs of the projects that are funding the tests. We are sampling both noncombusted and combusted syngas produced during some of the pilot-scale gasifier tests. This year sampling was performed of both syngas and combusted syngas while the entrained-flow gasifier (EFG) was firing subbituminous coal from the Antelope Mine in Wyoming. Results of scanning electron microscope analyses of the syngas before combustion showed no submicron particles, only flakes of iron oxide that had likely formed on steel surfaces inside the combustor. As shown in the 2013 annual report, soot was also collected from the syngas when the much-lower-temperature fluid-bed gasifier (FBG) was fired, indicating that the much higher temperature of the EFG prevented soot formation. However, particles collected from the combusted syngas consist almost entirely of submicron soot, and little to no vaporized metals made it past the warm-gas filters and scrubbers in the high-temperature EFG system which could then deposit in a turbine system burning a higher hydrogen syngas. These results are consistent with the analyses of the particulates collected from combusted syngas when the lowertemperature FBG system is used.

Electric↗
DOE OSTI2023

Observed changes in hydroclimate attributed to human forcing

Observational and modeling studies indicate significant changes in the global hydroclimate in the twentieth and early twenty-first centuries due to anthropogenic climate change. In this review, we analyze the recent literature on the observed changes in hydroclimate attributable to anthropogenic forcing, the physical and biological mechanisms underlying those changes, and the advantages and limitations of current detection and attribution methods. Changes in the magnitude and spatial patterns of precipitation minus evaporation (P–E) are consistent with increased water vapor content driven by higher temperatures. While thermodynamics explains most of the observed changes, the contribution of dynamics is not yet well constrained, especially at regional and local scales, due to limitations in observations and climate models. Anthropogenic climate change has also increased the severity and likelihood of contemporaneous droughts in southwestern North America, southwestern South America, the Mediterranean, and the Caribbean. An increased frequency of extreme precipitation events and shifts in phenology has also been attributed to anthropogenic climate change. While considerable uncertainties persist on the role of plant physiology in modulating hydroclimate and vice versa, emerging evidence indicates that increased canopy water demand and longer growing seasons negate the water-saving effects from increased water-use efficiency.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2023

Observed Changes in Hydroclimate Attributed to Human Forcing

Observational and modeling studies indicate significant changes in the global hydroclimate in the twentieth and early twenty-first centuries due to anthropogenic climate change. In this review, we analyze the recent literature on the observed changes in hydroclimate attributable to anthropogenic forcing, the physical and biological mechanisms underlying those changes, and the advantages and limitations of current detection and attribution methods. Changes in the magnitude and spatial patterns of precipitation minus evaporation ( P–E ) are consistent with increased water vapor content driven by higher temperatures. While thermodynamics explains most of the observed changes, the contribution of dynamics is not yet well constrained, especially at regional and local scales, due to limitations in observations and climate models. Anthropogenic climate change has also increased the severity and likelihood of contemporaneous droughts in southwestern North America, southwestern South America, the Mediterranean, and the Caribbean. An increased frequency of extreme precipitation events and shifts in phenology has also been attributed to anthropogenic climate change. While considerable uncertainties persist on the role of plant physiology in modulating hydroclimate and vice versa, emerging evidence indicates that increased canopy water demand and longer growing seasons negate the water-saving effects from increased water-use efficiency.

Drought↗
NASA NTRS1993

Distribution of tropical tropospheric water vapor

Utilizing a conceptual model for tropical convection and observational data for water vapor, the maintenance of the vertical distribution of the tropical tropospheric water vapor is discussed. While deep convection induces large-scale subsidence that constrains the turbulent downgradient mixing to within the convective boundary layer and effectively dries the troposphere through downward advection, it also pumps hydrometeors into the upper troposphere, whose subsequent evaporation appears to be the major source of moisture for the large-scale subsiding motion. The development of upper-level clouds and precipitation from these clouds may also act to dry the outflow, thus explaining the low relative humidity near the tropopause. A one-dimensional model is developed to simulate the mean vertical structure of water vapor in the tropical troposphere. It is also shown that the horizontal variation of water vapor in the tropical troposphere above the trade-wind boundary layer can be explained by the variation of a moisture source that is proportional to the amount of upper-level clouds. Implications for the nature of water vapor feedback in global warming are discussed.

Sun, De-Zheng↗
DOE OSTI2021

Radiative feedbacks on land surface change and associated tropical precipitation shifts

Changes in land surface albedo and land surface evaporation modulate the atmospheric energy budget by changing temperatures, water vapor, clouds, snow and ice cover, and the partitioning of surface energy fluxes. Here idealized perturbations to land surface properties are imposed in a global model to understand how such forcings drive shifts in zonal mean atmospheric energy transport and zonal mean tropical precipitation. For a uniform decrease in global land albedo, the albedo forcing and a positive water vapor feedback contribute roughly equally to increased energy absorption at the top of the atmosphere (TOA), while radiative changes due to the temperature and cloud cover response provide a negative feedback and energy loss at TOA. Decreasing land albedo causes a northwards shift in the zonal mean intertropical convergence zone (ITCZ). The combined effects on ITCZ location of all atmospheric feedbacks roughly cancel for the albedo forcing; the total ITCZ shift is comparable to that predicted for the albedo forcing alone. For an imposed increase in evaporative resistance that reduces land evaporation, low cloud cover decreases in the northern mid-latitudes and more energy is absorbed at TOA there; longwave loss due to warming provides a negative feedback on the TOA energy balance and ITCZ shift. Imposed changes in land albedo and evaporative resistance modulate fundamentally different aspects of the surface energy budget. However, the pattern of TOA radiation changes due to the water vapor and air temperature responses are highly correlated for these two forcings because both forcings lead to near-surface warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Coupling Spectral-bin Cloud Microphysics with the MOSAIC Aerosol Model in WRF-Chem: Methodology and Results for Marine Stratocumulus Clouds

Aerosol-cloud interaction processes can be represented more physically with bin cloud microphysics relative to bulk microphysical parameterizations. However, due to computational power limitations in the past, bin cloud microphysics was often run with very simple aerosol treatments. The purpose of this study is to represent better aerosol-cloud interaction processes in the Chemistry version of Weather Research and Forecast model (WRF-Chem) at convection-permitting scales by coupling spectral-bin cloud microphysics (SBM) with the MOSAIC sectional aerosol model. A flexible interface is built that exchanges cloud and aerosol information between them. The interface contains a new bin aerosol activation approach, which replaces the treatments in the original SBM. It also includes the modified aerosol resuspension and in-cloud wet removal processes with the droplet loss tendencies and precipitation fluxes from SBM. The newly coupled system is evaluated for two marine stratocumulus cases over the Southeast Pacific Ocean with either a simplified aerosol setup or full-chemistry. We compare the aerosol activation process in the newly-coupled SBM-MOSAIC against the SBM simulation without chemistry using a simplified aerosol setup, and the results show consistent activation rates. A longer time simulation reinforces that aerosol resuspension through cloud drop evaporation plays an important role in replenishing aerosols and impacts cloud and precipitation in marine stratocumulus clouds. Evaluation of the coupled SBM-MOSAIC with full-chemistry using aircraft measurements suggests that the new model works realistically for the marine stratocumulus clouds, and improves the simulation of cloud microphysical properties compared to a simulation using MOSAIC coupled with the Morrison two-moment microphysics.

Gao, Wenhua↗
DOE OSTI2019

Development of HPWH System Model, Using All Microchannel Heat Exchangers

In this report, 24-hour energy factor (EF) and first-hour draw rating (FHR) simulations were conducted on two heat pump water heater systems (HPWHs), one using a fin-and-tube evaporator and wrapped-tank condenser coil with D-shape tubes, and the other using a micro-channel evaporator and wrapped-tank condenser coil with microchannel tubes. Alternative refrigerants as drop-in replacements of R-134a were evaluated, including R-1234yf, R-1234ze(E), propane (R-290), R-450A and R-513A. The results are summarized below: 1.Microchannel heat exchangers can decrease the system charge down to 30% relative to fin-and-tube evaporator and wrapped-tank D tubes.2.Having the same contact surface area to the water tank and evaporator frontal flow area, the system using microchannel heat exchangers (MHXs) results in 5% efficiency degradation. Due to the very small cross-sectional flow area of a microchannel tube, MHXs tend to have multiple parallel tubes to restrict the refrigerant pressure drop. The parallel pattern can’t utilize the water temperature stratification as effectively as the D-shape tubes, which are arranged in one or two circuits and counter flow to the water stratification. 3.Refrigerant drop-in system simulations were conducted for R-1234yf, R-1234ze(E), propane, R450A and R513A in comparison to R-134a. Among the alternatives, propane has the largest volumetric capacity, which results in shortest HPWH run time and highest first-hour rating. Propane leads to the smallest energy factor because its largest volumetric capacity overloads the heat exchangers. R-1234ze(E) has the smallest volumetric capacity, highest energy factor, but smallest first-hour rating. R-1234yf, R-450A and R-513A achieve similar performance indices as R-134a. 4.Propane requires the least refrigerant mass (45% relative to R-134a). If a wrapped-tank microchannel condenser and microchannel evaporator are used, the required system charge can be limited below 150 grams, which makes it feasible to use propane for domestic HPWH.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

A data driven control strategy for optimal and flexible operation of absorption systems; Stratégie de régulation fondée sur les données pour un fonctionnement optimal et flexible des systèmes à absorption

A novel control strategy for vapor absorption systems with experimental validation is presented. Statistical methods are used to integrate a detailed thermodynamic model and system-specific characteristics into a model based control algorithm. This allows for continuously optimized operation as well as fast response to variations in operating conditions. Autonomous controller performance was tested experimentally for response to changes in heat sink and evaporator temperatures. Continuous turndown with fast response to capacity demand changes, in contrast to suboptimal on/off control, was demonstrated. The thermal compressor concept was employed to develop the variable speed thermal compressor module, with aspects specific to absorption heat pumps, also facilitating cross-applicability of vapor compression system control strategies. Our results of this study enable further development and optimization of absorption systems for a wide range of applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2001

Sensitivity of the Tropical Atmosphere Energy Balance to ENSO-Related SST Changes: How Well Can We Quantify Hydrologic and Radiative Responses?

The continuing debate over feedback mechanisms governing tropical sea surface temperatures (SSTs) and tropical climate in general has highlighted the diversity of potential checks and balances within the climate system. Competing feedbacks due to changes in surface evaporation, water vapor, and cloud long- and shortwave radiative properties each may serve critical roles in stabilizing or destabilizing the climate system. It is also intriguing that even those climate variations having origins internal to the climate system-- changes in ocean heat transport for example, apparently require complementary equilibrating effects by changes in atmospheric energy fluxes. Perhaps the best observational evidence of this is the relatively invariant nature of tropically averaged net radiation exiting the top-of-atmosphere (TOA) as measured by broadband satellite sensors over the past two decades. Thus, analyzing how these feedback mechanisms are operating within the context of current interannual variability may offer considerable insight for anticipating future climate change. In this paper we focus on how fresh water and radiative fluxes over the tropical oceans change during ENSO warm and cold events and how these changes affect the tropical energy balance. At present, ENSO remains the most prominent known mode of natural variability at interannual time scales. Although great advances have been made in understanding this phenomenon and realizing prediction skill over the past decade, our ability to document the coupled water and energy changes observationally and to represent them in climate models seems far from settled (Soden, 2000 J Climate). Our analysis makes use a number of data bases, principally those derived from space-based measurements, to explore systematic changes in rainfall, evaporation, and surface and top-of-atmosphere (TOA) radiative fluxes, A reexamination of the Langley 8-Year Surface Radiation Budget data set reveals errors in the surface longwave emission due to use of biased SSTs. Subsequent correction allows subsequent use of this data set along with ERBE TOA fluxes to infer net atmospheric radiative beating. Further analysis of recent rainfall algorithms provides new estimates for precipitation variability in line with interannual evaporation changes inferred from the da Silva, Young, Levitus COADS analysis. The overall results from our analysis suggest an increase (decrease) of the hydrologic cycle during ENSO warm (cold) events at the rate of about 5 Wm-2 per K of SST change. This rate is slightly less than that which would be expected for constant relative humidity over the tropical oceans. Corresponding radiative fluxes seem systematically smaller resulting in a enhanced (suppressed) export of energy from the tropical ocean regions during warm (cold) SST events. Discussion of likely errors due to sampling and measurement strategies are discussed along with their impacts on our conclusions.

Robertson, Franklin R.↗
DOE OSTI2016

The hydrodynamics of the formation of microlayers beneath vapour bubbles growing on a heated substrate

Thin layers of liquid are known to be 'left behind' beneath essentially the entire extent of the (approximately) hemispherical bubbles that grow rapidly at low pressures on heated substrates. The formation of these 'microlayers' has been well established by modern sophisticated experimental observations. Whilst the rapid evaporation of these layers can make a dominant contribution to the formation and growth of these bubbles, their effect is incorporated into CFD boiling analysis via semiempirical 'sub-grid scale' modelling, and the physics of the formation and the prediction of the characteristics of the microlayers have received little attention. We present here an investigation into their formation via the solution of the full Navier Stokes equations for viscous flow. This investigation has allowed us to demonstrate that the overall extent of the micro-layer is a function of the balance of inertial and surface tension forces that control the macroscopic expansion of the bubble. The inertial effects inhibit the growth of the bubble away from the wall, and force it to adopt a more hemispherical shape, with a larger 'contact' area with the substrate. Beneath this 'contact' area a micro-layer is formed by liquid being left behind as the bubble grows. The depth of the micro-layer left behind seems to depend largely upon the viscous forces at work in the flow near the wall. (authors)

42 ENGINEERING↗
DOE OSTI2019

Investigating old-growth ponderosa pine physiology using tree-rings, δ 13 C, δ 18 O, and a process-based model

In dealing with predicted changes in environmental conditions outside those experienced today, forest managers and researchers rely on process-based models to inform physiological processes and predict future forest growth responses. The carbon and oxygen isotope ratios of tree-ring cellulose (d13Ccell, d18Ocell) reveal long-term, integrated physiological responses to environmental conditions. We incorporated a submodel of d18Ocell into the widely used Physiological Principles in Predicting Growth (3-PG) model for the first time, to complement a recently added d13Ccell submodel. We parameterized the model using previously reported stand characteristics and long-term trajectories of tree-ring growth, d13Ccell, and d18Ocell collected from the Metolius AmeriFlux site in central Oregon (upland trees). We then applied the parameterized model to a nearby set of riparian trees to investigate the physiological drivers of differences in observed basal area increment (BAI) and d13Ccell trajectories between upland and riparian trees. The model showed that greater available soil water and maximum canopy conductance likely explain the greater observed BAI and lower d13Ccell of riparian trees. Unexpectedly, both observed and simulated d18Ocell trajectories did not differ between the upland and riparian trees, likely due to similar d18O of source water isotope composition. The d18Ocell submodel with a Peclet effect improved model estimates of d18Ocell because its calculation utilizes 3-PG growth and allocation processes. Because simulated stand-level transpiration (E) is used in the d18O submodel, aspects of leaf-level anatomy such as the effective path length for transport of water from the xylem to the sites of evaporation could be estimated.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2009

Velocity Characteristics of Evaporated Plasma using Hinode/EIS

This paper presents a detailed study of chromospheric evaporation using the EUV Imaging Spectrometer (EIS) onboard Hinode in conjunction with HXR observat,ions from RHESSI. The advanced capabilities of EIS were used to measure Doppler shifts in 15 emission lines covering the temperature range T=0.05-16 MK during the impulsive phase of a C-class flare on 2007 December 14. Blueshifts indicative of the evaporated material were observed in six emission lines from Fe XIV-XXIV (2-16 MK). Upflow velocity was found to scale with temperature as v(sub up) (kilometers per second) approximately equal to 5-17 T (MK). Although the hottest emission lines, Fe XXIII and Fe XXIV, exhibited upflows of greater than 200 kilometers per second, their line profiles were found to be dominated by a stationary component in stark contrast to the predictions of the standard flare model. Emission from O VI-Fe XIII lines (0.5-1.5 MK) was found to be redshifted by v(sub down) (kilometers per second) approximately equal to 60-17 T (MK) and was interpreted as the downward-moving 'plug' characteristic of explosive evaporation. These downflows occur at temperatures significantly higher than previously expected. Both upflows and downflows were spatially and temporally correlated with HXR emission observed by RHESSI that provided the properties of the electron beam deemed to be the driver of the evaporation. The energy contained in the electron beam was found to be greater than or equal to 10(sup 11) ergs per square centimeter per second consistent with the value required to drive explosive chromospheric evaporation from hydrodynamic simulations.

Milligan, Ryan O.↗
DOE OSTI2021

High salinity seawater boiling point elevation: Experimental verification

Boiling point elevation (BPE) for high salinity solutions is a crucial parameter that significantly affects the overall thermal efficiency of desalination, water treatment, and many other industrial processing systems, especially when minimum or zero liquid discharge is a key requirement. This paper addresses the discrepancies among the empirical correlations reported in the literature that were commonly used to determine BPE for seawater solutions. An evaluation of the experimental data with low solution concentration reveals that the data cannot be extrapolated to determine the BPE at high concentration (X > 140 ppt or g/kg). Besides, disparities are established within different equations used to determine the BPE for high salinity seawater. As a result of the minimal availability of experimental data of BPE for X > 140 ppt and the need to eliminate the discrepancies, an experimental setup was built, which can produce reliable and repeatable BPE data for any solution concentration. Boiling points were obtained experimentally for seawater solutions with a wide range of salinity (X between 20 and 280 ppt) and brine solution temperature (t b between 20 and 80°C). The experimental results of boiling point elevations for seawater are further compared with the experimental data and analytical results reported in the literature. The newly obtained experimental results show that the minimum and maximum BPE values for the brine solutions tested are 0.175°C at t b = 80°C and X = 20 ppt, and 11.6°C at t b = 80°C and X = 280 ppt, respectively. Furthermore, the measured BPE data for seawater concentration over 80 ppt are fitted and presented using an appropriate fitting model. The new correlation can accurately predict the BPE for high salinity seawater brines and thus should be very helpful in the design of high-energy-efficient evaporation systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Extreme Molecular Complexity Resulting in a Continuum of Carbonaceous Species in Biomass Burning Tar Balls from Wildfire Smoke

Biomass burning emits a wide range of carbonaceous particles into the atmosphere and has negative impacts on human health and the Earth’s radiative balance. Nonvolatile spherical organic aerosol particles, commonly known as tar balls, represent one of the most abundant particles in aged biomass burning smoke. However, the detailed molecular-level composition of ambient tar balls is largely unknown but critical to access their environmental impacts. Ambient aerosol samples collected during a wildfire event, which were ~90% tar balls by number fraction, were analyzed using ultrahigh resolution Orbitrap Elite mass spectrometry with four complementary ionization modes. Our results show the molecular composition of tar balls to be complex, composed of over 10,000 molecular formulas. Model estimated saturation mass concentrations and relative humidity dependent glass transition temperatures were consistent with low volatility and solid morphology as expected for tar balls. Room-temperature evaporation kinetics showed that these particles were composed of ~90% non-volatile species. The molecular complexity detected here signifies a continuum of carbonaceous species, ranging from C3 to C45 with continuous ranges of oxygenation and hydrogen saturation for each Cn. Approximately 24% of molecular formulas were estimated the be highly aromatic, which could indicate chemical compounds with negative health effects, and which may contribute to visible light absorption. The carbon continuum observed here has significant implications for the molecular characterization of atmospheric organic matter. The level of complexity detected here should not be ignored in future studies and we demonstrate that multiple analytical methods may be required to suitably interpret this complexity on a molecular level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

X-ray photoelectron spectroscopy of surfactants on sub-micron aqueous aerosols

Organic molecules at the aqueous interfaces of droplets and aerosols can influence multiphase chemistry and cloud condensation nuclei activity. While surface tension measurements on flat surfaces are commonly used to quantify organic partitioning and structure, extending these measurements to more realistic aerosols that might exist in metastable, supercooled and supersaturated states remains a challenge. Here, we use aerosol velocity map imaging X-ray photoelectron spectroscopy (A-VMI-XPS), a surface-sensitive and in situ technique, to study the partitioning and structure of a model surfactant (n-octyl β-D-thioglucopyranoside, OTG) in submicron aqueous aerosols with a mean radius of 116 nm. After accounting for finite size effects and evaporative cooling, we find the bulk concentrations of OTG in the aerosol are depleted 600-fold relative to macroscopic solutions. At the low temperatures of the experiment (ca. ∼188 K), we obtain a Langmuir equilibrium constant of 700 m3 mol-1, which corresponds to 4.9 m3 mol-1 at room temperature; a value that is consistent with prior literature reports. Analysis of photoelectron angular distributions, peak areas, and secondary electron escape barriers indicates a transition from a disordered surfactant layer at low [OTG] to a more structured layer at high [OTG]. These results link macroscopic surface tension measurements to nanoparticle surfactant behavior and demonstrate the utility of A-VMI-XPS in probing surfactant coating structure on free aerosols, with implications for understanding the impact of organic coatings on cloud formation and atmospheric chemistry.

Deal, Alexandra M↗
DOE OSTI2021

Theoretical Analysis of a Single-Stage Gas-fired Ejector Heat Pump Water Heater

Ejector-driven systems have the ability to operate at high efficiencies, utilizing recycled thermal energy as a power source. For a typical ejector heat pump (EHP) system, the increase of the condenser temperature reduces the coefficient of performance (COP). In addition, if the condenser temperature is higher than the critical temperature, the ejector may not function. In this situation, the condenser temperature must be reduced, and an additional heater will be utilized to heat the production water from the condenser temperature to the desired temperature. In this study, a single-stage gas-fired EHP is investigated and thermodynamically modeled to optimize the system COP for the purpose of heating water by utilizing the thermal energy from the ambient air. The effects of the high-temperature evaporator (HTE) and low-temperature evaporator (LTE) on the ejector critical back pressure and the EHP system performance are examined for a HTE temperature range of 120–180 °C and LTE temperatures of 15.5, 17.5, and 19.5 °C. Our results show that an optimized COP for the EHP system exists and is dependent on HTE and LTE temperatures and the primary nozzle throat diameter. In addition, it is found that the peak EHP COP does not necessarily coincide with a large ejector COP. From this study, a maximum EHP COP of 1.31 is achieved at a HTE temperature of 170 °C and LTE temperature of 19.5 °C with a total heating capacity of 15.98 kW.

42 ENGINEERING↗