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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↗

DOE OSTI2016

Dynamics of photoprocesses induced by femtosecond infrared radiation in free molecules and clusters of iron pentacarbonyl

The dynamics of photoprocesses induced by femtosecond infrared radiation in free Fe(CO){sub 5} molecules and their clusters owing to the resonant excitation of vibrations of CO bonds in the 5-μm range has been studied. The technique of infrared excitation and photoionization probing (λ = 400 nm) by femtosecond pulses has been used in combination with time-of-flight mass spectrometry. It has been found that an infrared pulse selectively excites vibrations of CO bonds in free molecules, which results in a decrease in the yield of the Fe(CO){sub 5}{sup +} molecular ion. Subsequent relaxation processes have been analyzed and the results have been interpreted. The time of the energy transfer from excited vibrations to other vibrations of the molecule owing to intramolecular relaxation has been measured. The dynamics of dissociation of [Fe(CO){sub 5}]{sub n} clusters irradiated by femtosecond infrared radiation has been studied. The time dependence of the yield of free molecules has been measured under different infrared laser excitation conditions. We have proposed a model that well describes the results of the experiment and makes it possible, in particular, to calculate the profile of variation of the temperature of clusters within the “evaporation ensemble” concept. The intramolecular and intracluster vibrational relaxation rates in [Fe(CO){sub 5}]{sub n} clusters have been estimated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

PINCH POINT ANALYSIS OF GAS COOLERS IN TRANSCRITICAL R1336mzz(Z) HIGH-TEMPERATURE HEAT PUMPS

The majority of high-temperature heat pumps (HTHPs) operate subcritical vapor compression cycles, where the maximum sink temperature is limited by the critical temperature of refrigerants. In HTHPs with a sink temperature of ≥ 150°C, transcritical cycles overcome this limitation by rejecting heat in the supercritical regions of refrigerant. Supercritical refrigerants in gas coolers have a large temperature glide and substantial nonlinear variation in specific heat capacity vs. temperature. Closely matching the refrigerant glide temperature and the heat sink temperature profile greatly impacts the heat transfer characteristic of gas coolers and the overall performance of HTHPs. This study conducts a pinch point analysis for the gas cooling process of supercritical R1336mzz(Z) in HTHPs. A finite volume element model of a supercritical R1336mzz(Z) counterflow gas cooler is built and solved. This study evaluates the influences of operating conditions, including inlet and outlet of coolants, refrigerant evaporation temperature and superheat degree, pinch temperature difference, and heat rejection pressure, on the performance of HTHPs. The optimal discharge pressures in gas coolers are proposed for industrial spray dryers in providing drying air at 170°C−210°C. The results of the present study help design gas coolers in transcritical R1336mzz(Z) HTHPs.

Wang, Pengtao↗

DOE OSTI2016

FORMATION AND PLASMA CIRCULATION OF SOLAR PROMINENCES

Solar prominences are long-lived cool and dense plasma curtains in the hot and rarefied outer solar atmosphere or corona. The physical mechanism responsible for their formation and especially for their internal plasma circulation has been uncertain for decades. The observed ubiquitous downflows in quiescent prominences are difficult to interpret because plasma with high conductivity seems to move across horizontal magnetic field lines. Here we present three-dimensional numerical simulations of prominence formation and evolution in an elongated magnetic flux rope as a result of in situ plasma condensations fueled by continuous plasma evaporation from the solar chromosphere. The prominence is born and maintained in a fragmented, highly dynamic state with continuous reappearance of multiple blobs and thread structures that move mainly downward, dragging along mass-loaded field lines. The circulation of prominence plasma is characterized by the dynamic balance between the drainage of prominence plasma back to the chromosphere and the formation of prominence plasma via continuous condensation. Plasma evaporates from the chromosphere, condenses into the prominence in the corona, and drains back to the chromosphere, establishing a stable chromosphere–corona plasma cycle. Synthetic images of the modeled prominence with the Solar Dynamics Observatory Atmospheric Imaging Assembly closely resemble actual observations, with many dynamical threads underlying an elliptical coronal cavity.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

SURFACE TEMPERATURES ON TITAN DURING NORTHERN WINTER AND SPRING

Meridional brightness temperatures were measured on the surface of Titan during the 2004–2014 portion of the Cassini mission by the Composite Infrared Spectrometer. Temperatures mapped from pole to pole during five two-year periods show a marked seasonal dependence. The surface temperature near the south pole over this time decreased by 2 K from 91.7 ± 0.3 to 89.7 ± 0.5 K while at the north pole the temperature increased by 1 K from 90.7 ± 0.5 to 91.5 ± 0.2 K. The latitude of maximum temperature moved from 19 S to 16 N, tracking the sub-solar latitude. As the latitude changed, the maximum temperature remained constant at 93.65 ± 0.15 K. In 2010 our temperatures repeated the north–south symmetry seen by Voyager one Titan year earlier in 1980. Early in the mission, temperatures at all latitudes had agreed with GCM predictions, but by 2014 temperatures in the north were lower than modeled by 1 K. The temperature rise in the north may be delayed by cooling of sea surfaces and moist ground brought on by seasonal methane precipitation and evaporation.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1983

A thermomechanical model for energy propagation in a solid-fluid-solid system with one boundary in relative motion

A model is developed to predict the behavior of a thin fluid film in the wake of a tool in relative motion with respect to the table. Computational procedures are developed and limitations of the model are discussed. In general the fluid-interface temperature is controlled by conduction into the table. From the numerical results four regimes are identified: convective cooling, partial evaporation of the fluid film, extended evaporation due to a limiting evaporative heat flux, and surface dryout due to total evaporation of the fluid layer. These regimes are qualitatively illustrated in terms of the parameters film thickness, viscosity, and relative velocity.

Braun, M. J.↗

NASA NTRS1986

Formation of active region and quiescent prominence magnetic field configurations

To investigate the formation of prominences, researchers studied chromospheric mass injection into an overlying coronal dipole magnetic field using a 2-D ideal magnetohydrodynamic (MHD) numerical model. Researchers propose that active region prominences are formed by chromospheric plasmas injected directly into the overlying coronal magnetic field and that quiescent prominences are formed by plasmas evaporated at the interface between spicules and corona. Hence, for the simulation of an active region prominence magnetic field we inject the mass from one side, but use a symmetric mass injection to form a quiescent prominence field configuration. Researchers try to find optimum conditions for the formation of Kippenhahn-Schuluter(K-S)type field configuration for stable support of the injection plasmas. They find that the formation of K-S type field configuration by mass injection requires a delicate balance between injection velocity, density, and overlying magnetic fields. These results may explain why a prominence does not form on every neutral line.

An, C.-H.↗

NASA NTRS1992

FNAS/solar flare energetics

We have performed an extensive study of solar flare energy buildup and release, concentrating in two aspects: (1) relationship with 3D field topology and measured electric currents; and (2) flare onset characteristics as determined from combined x ray and ultraviolet observations. We extended our previous studies on the characteristic topology of flaring regions, by following the evolution of an active region over three consecutive days. From comparison with flare observations in x rays and h alpha, we found further support for the hypothesis that flares were triggered by taking place at the separators (3D generalization of and x-type neutral point). Furthermore, we found that emerging in flux at a site within the active regions where no (or little) activity was previously observed, caused the appearance of a secondary separator and thereon continuous triggering of activity at such site. Our topology arguments were then applied to a study of sympathetic activity between two regions within an active complex. Here again we found that interacting field structures along separators and separatrices, which act as pathways for recurrent flaring to spread between the regions, could be used to understand how activity spread to potentially explosive sites with the complex. We also finished our study of flare onset characteristics as determined from combined x ray and ultraviolet observations. Using a quasi-static modeling approach, we find that this phase is characterized by a relatively low level of energy release, 10 exp 26-27 erg/s, which is sufficient to produce 'gentle' evaporation, a shift in the location of the transition zone as compared to pre-flare conditions, and an increase in the temperature and density of coronal loops. All these changes have profound implications on the observed signatures of impulsive phase phenomena, which had been neglected in the past. As a follow-up of this investigation, we now plan to apply our results to the interpretation of high-sensitivity spectroscopic and hard x-ray data currently being gathered by the Yohkoh and Compton Gamma Ray Observatory satellites.

Machado, M. E.↗

NASA NTRS1994

Energy transport and dynamics

We report findings concerning energy transport and dynamics in flares during the impulsive and gradual phases based on new ground-based and space observations (notably from Yohkoh). A preheating sometimes occurs during the impulsive phase. Ca XIX line shifts are confirmed to be good tracers of bulk plasma motions, although strong blue shifts are not as frequent as previously claimed. They often appear correlated with hard X-rays but, for some events, the concept that electron beams provide the whole energy input to the thermal component seems not to apply. Theory now yields: new diagnostics of low-energy proton and electric beams; accurate hydrodynamical modeling of pulse beam heating of the atmosphere; possible diagnostics of microflares (based on X-ray line ratio or on loop variability); and simulated images of chromospheric evaporation fronts. For the gradual phase, the continual reorganization of magnetic field lines over active regions determines where and when magnetic reconnection, the mechanism favored for energy release, will occur. Spatial and temporal fragmentation of the energy release, observed at different wavelengths, is considered to be a factor as well in energy transport and plasma dynamics.

Schmieder, Brigitte↗

NASA NTRS2005

Advanced Combustion Modeling for Complex Turbulent Flows

The next generation of aircraft engines will need to pass stricter efficiency and emission tests. NASA's Ultra-Efficient Engine Technology (UEET) program has set an ambitious goal of 70% reduction of NO(x) emissions and a 15% increase in fuel efficiency of aircraft engines. We will demonstrate the state-of-the-art combustion tools developed a t Stanford's Center for Turbulence Research (CTR) as part of this program. In the last decade, CTR has spear-headed a multi-physics-based combustion modeling program. Key technologies have been transferred to the aerospace industry and are currently being used for engine simulations. In this demo, we will showcase the next-generation combustion modeling tools that integrate a very high level of detailed physics into advanced flow simulation codes. Combustor flows involve multi-phase physics with liquid fuel jet breakup, evaporation, and eventual combustion. Individual components of the simulation are verified against complex test cases and show excellent agreement with experimental data.

Ham, Frank Stanford↗

NASA NTRS2016

Surface Temperatures on Titan During Northern Winter and Spring

Meridional brightness temperatures were measured on the surface of Titan during the 2004-2014 portion of the Cassini mission by the Composite Infrared Spectrometer. Temperatures mapped from pole to pole during five two year periods show a marked seasonal dependence. The surface temperature near the south pole over this time decreased by 2 K from 91.7 plus or minus 0.3 to 89.7 plus or minus 0.5 K while at the north pole the temperature increased by 1 K from 90.7 plus or minus 0.5 to 91.5 plus or minus 0.2 K. The latitude of maximum temperature moved from 19 S to 16 N, tracking the subsolar latitude. As the latitude changed, the maximum temperature remained constant at 93.65 plus or minus 0.15 K. In 2010 our temperatures repeated the north-south symmetry seen by Voyager one Titan year earlier in 1980. Early in the mission, temperatures at all latitudes had agreed with GCM predictions, but by 2014 temperatures in the north were lower than modeled by 1 K. The temperature rise in the north may be delayed by cooling of sea surfaces and moist ground brought on by seasonal methane precipitation and evaporation.

Cassini↗

NASA NTRS2005

Impact of CAMEX-4 Data Sets for Hurricane Forecasts using a Global Model

This study explores the impact on hurricane data assimilation and forecasts from the use of dropsondes and remote-sensed moisture profiles from the airborne Lidar Atmospheric Sensing Experiment (LASE) system. We show that the use of these additional data sets, above those from the conventional world weather watch, has a positive impact on hurricane predictions. The forecast tracks and intensity from the experiments show a marked improvement compared to the control experiment where such data sets were excluded. A study of the moisture budget in these hurricanes showed enhanced evaporation and precipitation over the storm area. This resulted in these data sets making a large impact on the estimate of mass convergence and moisture fluxes, which were much smaller in the control runs. Overall this study points to the importance of high vertical resolution humidity data sets for improved model results. We note that the forecast impact from the moisture profiling data sets for some of the storms is even larger than the impact from the use of dropwindsonde based winds.

Kamineni, Rupa↗

DOE OSTI2020

Influence of sea-ice anomalies on Antarctic precipitation using source attribution in the Community Earth System Model

Abstract. We conduct sensitivity experiments using a general circulation model that has an explicit water source tagging capability forced by prescribed composites of pre-industrial sea-ice concentrations (SICs) and corresponding sea surface temperatures (SSTs) to understand the impact of sea-ice anomalies on regional evaporation, moisture transport and source–receptor relationships for Antarctic precipitation in the absence of anthropogenic forcing. Surface sensible heat fluxes, evaporation and column-integrated water vapor are larger over Southern Ocean (SO) areas with lower SICs. Changes in Antarctic precipitation and its source attribution with SICs have a strong spatial variability. Among the tagged source regions, the Southern Ocean (south of 50° S) contributes the most (40 %) to the Antarctic total precipitation, followed by more northerly ocean basins, most notably the South Pacific Ocean (27%), southern Indian Ocean (16 %) and South Atlantic Ocean (11 %). Comparing two experiments prescribed with high and low pre-industrial SICs, respectively, the annual mean Antarctic precipitation is about 150 Gt yr-1 (or 6 %) more in the lower SIC case than in the higher SIC case. This difference is larger than the model-simulated interannual variability in Antarctic precipitation (99 Gt yr-1). The contrast in contribution from the Southern Ocean, 102 Gt yr-1, is even more significant compared to the interannual variability of 35 Gt yr-1 in Antarctic precipitation that originates from the Southern Ocean. The horizontal transport pathways from individual vapor source regions to Antarctica are largely determined by large-scale atmospheric circulation patterns. Vapor from lower-latitude source regions takes elevated pathways to Antarctica. In contrast, vapor from the Southern Ocean moves southward within the lower troposphere to the Antarctic continent along moist isentropes that are largely shaped by local ambient conditions and coastal topography. This study also highlights the importance of atmospheric dynamics in affecting the thermodynamic impact of sea-ice anomalies associated with natural variability on Antarctic precipitation. Our analyses of the seasonal contrast in changes of basin-scale evaporation, moisture flux and precipitation suggest that the impact of SIC anomalies on regional Antarctic precipitation depends on dynamic changes that arise from SIC–SST perturbations along with internal variability. The latter appears to have a more significant effect on the moisture transport in austral winter than in summer.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2020

Influence of Sea-Ice Anomalies on Antarctic Precipitation Using Source Attribution in the Community Earth System Model

We conduct sensitivity experiments using a general circulation model that has an explicit water source tagging capability forced by prescribed composites of pre-industrial sea-ice concentrations (SICs) and corresponding sea surface temperatures (SSTs) to understand the impact of sea-ice anomalies on regional evaporation, moisture transport and source–receptor relationships for Antarctic precipitation in the absence of anthropogenic forcing. Surface sensible heat fluxes, evaporation and column-integrated water vapor are larger over Southern Ocean (SO) areas with lower SICs. Changes in Antarctic precipitation and its source attribution with SICs have a strong spatial variability. Among the tagged source regions, the Southern Ocean (south of 50∘ S) contributes the most (40 %) to the Antarctic total precipitation, followed by more northerly ocean basins, most notably the South Pacific Ocean (27%), southern Indian Ocean (16 %) and South Atlantic Ocean (11 %). Comparing two experiments prescribed with high and low pre-industrial SICs, respectively, the annual mean Antarctic precipitation is about 150 Gt yr−1 (or 6 %) more in the lower SIC case than in the higher SIC case. This difference is larger than the model-simulated interannual variability in Antarctic precipitation (99 Gt yr−1). The contrast in contribution from the Southern Ocean, 102 Gt yr−1, is even more significant compared to the interannual variability of 35 Gt yr−1 in Antarctic precipitation that originates from the Southern Ocean. The horizontal transport pathways from individual vapor source regions to Antarctica are largely determined by large-scale atmospheric circulation patterns. Vapor from lower-latitude source regions takes elevated pathways to Antarctica. In contrast, vapor from the Southern Ocean moves southward within the lower troposphere to the Antarctic continent along moist isentropes that are largely shaped by local ambient conditions and coastal topography. This study also highlights the importance of atmospheric dynamics in affecting the thermodynamic impact of sea-ice anomalies associated with natural variability on Antarctic precipitation. Our analyses of the seasonal contrast in changes of basin-scale evaporation, moisture flux and precipitation suggest that the impact of SIC anomalies on regional Antarctic precipitation depends on dynamic changes that arise from SIC–SST perturbations along with internal variability. The latter appears to have a more significant effect on the moisture transport in austral winter than in summer.

Wang, Hailong↗

NASA NTRS2009

Testing and Model Correlation of Sublimator Driven Coldplate Coupons and EDU

The Sublimator Driven Coldplate (SDC) is a unique piece of thermal control hardware that has several advantages over a more traditional thermal control system. The principal advantage is the possible elimination of a pumped fluid loop, potentially saving mass, power, and complexity. Because this concept relies on evaporative heat rejection techniques, it is primarily useful for short mission durations. Additionally, the concept requires a conductive path between the heat-generating component and the heat rejection device. Therefore, it is mostly a relevant solution for a vehicle with a relatively low heat rejection requirement and/or short transport distances. Tests were performed on coupons and an Engineering Development Unit (EDU) at NASA s Johnson Space Center to better understand the basic operational principles and to validate the analytical methods being used for the SDC development. This paper outlines the results of the SDC tests, the subsequent thermal model correlation, and a description of the SDC Engineering Development Unit test results.

Leimkuehler, Thomas O.↗

DOE OSTI2016

Effects of explicit convection on global land-atmosphere coupling in the superparameterized CAM

Here, conventional global climate models are prone to producing unrealistic land-atmosphere coupling signals. Cumulus and convection parameterizations are natural culprits but the effect of bypassing them with explicitly resolved convection on global land-atmosphere coupling dynamics has not been explored systematically. We apply a suite of modern land-atmosphere coupling diagnostics to isolate the effect of cloud Superparameterization in the Community Atmosphere Model (SPCAM) v3.5, focusing on both the terrestrial segment (i.e., soil moisture and surface turbulent fluxes interaction) and atmospheric segment (i.e., surface turbulent fluxes and precipitation interaction) in the water pathway of the landatmosphere feedback loop. At daily timescales, SPCAM produces stronger uncoupled terrestrial signals (negative sign) over tropical rainforests in wet seasons, reduces the terrestrial coupling strength in the Central Great Plain in American, and reverses the coupling sign (from negative to positive) over India in the boreal summer season—all favorable improvements relative to reanalysis-forced land modeling. Analysis of the triggering feedback strength (TFS) and amplification feedback strength (AFS) shows that SPCAM favorably reproduces the observed geographic patterns of these indices over North America, with the probability of afternoon precipitation enhanced by high evaporative fraction along the eastern United States and Mexico, while conventional CAM does not capture this signal. We introduce a new diagnostic called the Planetary Boundary Layer (PBL) Feedback Strength (PFS), which reveals that SPCAM exhibits a tight connection between the responses of the lifting condensation level, the PBL height, and the rainfall triggering to surface turbulent fluxes; a triggering disconnect is found in CAM.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2017

The evolution of the Cappadocia Geothermal Province, Anatolia (Turkey): geochemical and geochronological evidence

Cappadocia Geothermal Province (CGP), central Turkey, consists of nine individual geothermal regions controlled by active regional fault systems. This paper examines the age dating of alteration minerals and the geochemistry (trace elements and isotopes) of the alteration minerals and geothermal waters, to assess the evolution of CGP in relation to regional tectonics. Ar–Ar age data of jarosite and alunite show that the host rocks were exposed to oxidizing conditions near the Earth’s surface at about 5.30 Ma. Based on the δ{sup 18}O–δD relationhip, water samples had a high altitude meteoric origin. The δ{sup 34}S values of jarosite and alunite indicate that water samples from the southern part of the study area reached the surface after circulation through volcanic rocks, while northern samples had traveled to the surface after interacting with evaporates at greater depths. REY (rare earth elements and yttrium) diagrams of alteration minerals (especially illite, jarosite and alunite) from rock samples, taken from the same locations as the water samples, display a similar REY pattern to water samples. This suggests that thermal fluids, which reached the surface along a fault zone and caused the mineral alteration in the past, had similar chemical composition to the current geothermal water. The geothermal conceptual model, which defines a volcanically heated reservoir and cap rocks, suggests there are no structural drawbacks to the use of the CGP geothermal system as a resource. However, fluid is insufficient to drive the geothermal system as a result of scanty supply of meteoric water due to evaporation significantly exceeding rainfall.

58 GEOSCIENCES↗