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At least 1,333 records · Page 74

Economic and environmental sustainability of bio-based HMF production and recovery from lignocellulosic biomass

5-Hydroxymethyl furfurals (HMF) is one of the versatile platform chemicals. However, green routes to produce it directly from lignocellulosic biomass are lacking. A significant amount of HMF produced during the hydrothermal valorization of lignocellulosic biomass is considered undesired and ends up in a waste stream. The study transformed the undesired byproduct into a valuable coproduct by advancing the existing biofuel production process. A detailed economic and environmental sustainability analysis of the integrated biorefinery design was performed. The evaluation showed that the biorefinery could afford a maximum feedstock purchasing price of $\$115.17$ per MT and produce HMF with a minimum selling price of $\$4.54$ per kg which is ~75% lower than the commercial price of HMF. The median global warming potential of HMF was estimated to be 3.92 kg CO 2 -eq. per kg HMF which was ~32% less than its counterpart bio-based p-xylene. Diverse coproducts produced in the biorefinery using transgenic feedstock positively impacted sustainability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accelerating Advanced Light Source Science Through Multi-Facility HPC Workflows

Synchrotron light sources support a wide array of techniques to investigate materials, often producing complex, high-volume data that challenge traditional workflows. At the Advanced Light Source (ALS), we developed infrastructure to move microtomography data over ESnet to ALCF and NERSC, where CPU- and GPU-based algorithms generate 3D reconstructed volumes of experimental samples. We employ two data movement and reconstruction models: real-time processing as data streams directly to NERSC compute nodes, and automated file transfer to NERSC and ALCF file systems. The streaming pipeline provides users with feedback in under ten seconds, while the file-based workflow produces high-quality reconstructions suitable for deeper analysis in 20-30 minutes. This infrastructure enables users to utilize HPC resources without direct access to backend systems. We plan to extend this architecture to more endstations, supporting our beamline scientists and users.

Abramov, David↗

yuyao-jia/Bio-based_HMF_coproduction

5-Hydroxymethyl furfurals (HMF) is one of the versatile platform chemicals. However, green routes to produce it directly from lignocellulosic biomass are lacking. A significant amount of HMF produced during the hydrothermal valorization of lignocellulosic biomass is considered undesired and ends up in a waste stream. The study transformed the undesired byproduct into a valuable coproduct by advancing the existing biofuel production process. A detailed economic and environmental sustainability analysis of the integrated biorefinery design was performed. The evaluation showed that the biorefinery could afford a maximum feedstock purchasing price of $115.17 per MT and produce HMF with a minimum selling price of $4.54 per kg which is ∼75% lower than the commercial price of HMF. The median global warming potential of HMF was estimated to be 3.92 kg CO2-eq. per kg HMF which was ∼32% less than its counterpart bio-based p-xylene. Diverse coproducts produced in the biorefinery using transgenic feedstock positively impacted sustainability.

Jia, Yuyao↗

Rainfall-driven Flooding Capability Development Report

Globally, floods are among the most frequent and costly natural disasters, both socially and economically. Many of these floods result from excess rainfall collecting in streams and rivers, then overtopping banks and flowing overland into urban environments, damaging critical infrastructure. In Fiscal Year 2012, the National Infrastructure Simulation and Analysis Center’s (NISAC) goal was to enhance its existing flood modeling and simulation capability to be able to estimate flooding from rainfall-runoff events. To accomplish this task, NISAC modified the existing flood modeling code-base using commodity high-performance computing hardware, making it more suitable for regional rainfall events. NISAC also implemented new modules within the existing flood code to account for hydrologic processes, such as spatially variable rainfall and infiltration. Analysts subjected the new hydrologic model to a verification and validation process, wherein analysts evaluated the model using a bench-scale experiment and watershed scale rainfall-runoff events. The bench-scale experiment indicated that the new hydrologic model is mass and momentum conserving and can adequately simulate runoff for depths of inches of water. The watershed scale simulations indicated that the hydrologic model is a good predictor of the discharge hydrograph when compared to observations if the input parameters, such as roughness and hydraulic conductivity, are adequately calibrated. The intended use of the hydrologic model is to estimate flood potential during extreme rainfall events. The accuracy of the predictions is largely dependent on the availability of accurate spatial data for soil and roughness parameters. In addition, each simulation should be accompanied with a calibration exercise, which requires historical rainfall and river discharge observations.

13 HYDRO ENERGY↗

Initial Assessment of TeF 6 Adsorption

Research and development that supports the management of off-gases from nuclear fuel reprocessing has historically been focused on the off-gas streams that arise from aqueous reprocessing technology. However, as Gen-IV reactor development pathways move toward deployment, alternative spent nuclear fuel (SNF) processing and disposition pathways have been considered more actively. This work is focused upon aspects of fluoride volatility (FV) processing. The versatility of this method for deployment against multiple types of spent fuel encourages the continued advancement of both the primary separations processes and the secondary processes, including waste treatment, material control and accountability, and engineering designs. Recent work noted that TeF 6 , the most highly volatile fluorinated compound produced during FV processing, did not have a clear abatement technology recommended in the literature. Thus, this work performed scoping tests on activated alumina and copper shot to assess whether they could be used to remove TeF 6 from gas streams that bear F 2 . Previous work on this topic was not well described in the literature and was not performed with excess F 2 in the stream as would be typical of spent fuel processing via FV. To support an understanding of the concentration of TeF 6 contacting the adsorbent beds, a series of preliminary testing identified the TeF 6 production rate and the equilibrium concentration of TeF 6 in the gas stream contacting the adsorbent. Excess F 2 was determined to not affect the ability of activated alumina to remove TeF 6 from the gas stream quickly and completely. A determination of whether excess F 2 affected the distribution depth of Te in the sorbent bed is still pending analysis of the used sorbent. Literature suggests that when activated alumina is near saturation, TeF 6 could migrate from the sorbent bed. Future testing should investigate this possibility. Copper metal did not adsorb TeF 6 in the presence of F 2 across the sorbent temperature range of 50 to 335°C. F 2 was fully removed by the copper bed. Although preliminary thermodynamics would indicate adsorption to be energetically favorable, other factors that impact adsorption (e.g., slow kinetics, excess fluorine on the copper surface, an unfavorable transition state) are likely preventing the adsorption of TeF 6 at an easily measurable rate. The work also investigated TeF 6 production from multiple forms of Te in the temperature range of 100 to 250°C. No previous study had assessed the initial reaction rates for this process. A carefully designed study allowed determination of the activation energy for the production of TeF 6 from Te metal. The substantial amount of data collected during this study merits analysis beyond what is described here. A more in-depth kinetic analysis will be pursued. Additional analytical results will provide the ability to benchmark adsorption coefficients for TeF 6 , understand the distribution of TeF 6 within the alumina bed, and better understand the effect of F 2 partial pressure on Te fluorination. The data from this report, as supplemented by these additional analyses, will be submitted to a peer-reviewed journal.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Steam-Assisted Ammonolysis of MoO2 as a Synthetic Pathway to Oxygenated δ-MoN

A common route for the synthesis of molybdenum nitrides is through the temperature-programmed reaction of molybdenum oxides with NH3, or ammonolysis. In this work, the role of precursor phase, gas phase chemistry (impact of H2O), and temperature profile on the reaction outcome (700 °C) was examined, which resulted in varying amounts of MoO2, H2MoO5, and the nitride phases—cubic γ (nominally Mo2N) and hexagonal δ (nominally MoN). The phase fraction of the δ phase increased with precursor in the sequence MoO2 > MoO3 > H2MoO5. Steam in the reaction gas also favored the production of δ over γ, but with too much steam, MoO2 was obtained in the product. Synthesis conditions for obtaining nearly phase-pure δ were identified: MoO2 as the precursor, 2% H2O in the gas stream, and a moderate heating rate (3 °C/min). In situ X-ray diffraction provided insights into the reaction pathway. Extensive physico-chemical analysis of the δ phase, including synchrotron X-ray and neutron diffraction, electron microscopy, thermogravimetric analysis, X-ray photoelectron spectroscopy, and prompt gamma activation analysis, revealed its stoichiometry to be MoO0.108(8)N0.892(8)H0.012(5), indicating non-trivial oxygen incorporation. The presence of N/O ordering and an impurity phase Mo5N6 were also revealed, detectable only by neutron diffraction. Notably, a computationally predicted MoON phase (doi: 10.1103/PhysRevLett.123.236402), of interest due to its potential to display a metal-insulator transition, did not appear under any reaction condition examined.

Pandey, Shobhit↗

Linking big models to big data: efficient ecosystem model calibration through Bayesian model emulation

Data-model integration plays a critical role in assessing and improving our capacity to predict ecosystem dynamics. Similarly, the ability to attach quantitative statements of uncertainty around model forecasts is crucial for model assessment and interpretation and for setting field research priorities. Bayesian methods provide a rigorous data assimilation framework for these applications, especially for problems with multiple data constraints. However, the Markov chain Monte Carlo (MCMC) techniques underlying most Bayesian calibration can be prohibitive for computationally demanding models and large datasets. We employ an alternative method, Bayesian model emulation of sufficient statistics, that can approximate the full joint posterior density, is more amenable to parallelization, and provides an estimate of parameter sensitivity. Analysis involved informative priors constructed from a meta-analysis of the primary literature and specification of both model and data uncertainties, and it introduced novel approaches to autocorrelation corrections on multiple data streams and emulating the sufficient statistics surface. We report the integration of this method within an ecological workflow management software, Predictive Ecosystem Analyzer (PEcAn), and its application and validation with two process-based terrestrial ecosystem models: SIPNET and ED2. In a test against a synthetic dataset, the emulator was able to retrieve the true parameter values. A comparison of the emulator approach to standard brute-force MCMC involving multiple data constraints showed that the emulator method was able to constrain the faster and simpler SIPNET model's parameters with comparable performance to the brute-force approach but reduced computation time by more than 2 orders of magnitude. The emulator was then applied to calibration of the ED2 model, whose complexity precludes standard (brute-force) Bayesian data assimilation techniques. Both models are constrained after assimilation of the observational data with the emulator method, reducing the uncertainty around their predictions. Performance metrics showed increased agreement between model predictions and data. Our study furthers efforts toward reducing model uncertainties, showing that the emulator method makes it possible to efficiently calibrate complex models.

58 GEOSCIENCES↗

Electromagnetic plasma wave propagation along a magnetic field

The linearized response of a Vlasov plasma to the steady-state excitation of transverse plasma waves along an external magnetic field is examined. Assuming a delta-function excitation mechanism, and performing a detailed Vlasov-Maxwell equation analysis using Fourier-Laplace transforms, the plasma response is found to consist of three terms: a branch-cut term, a free-streaming term, and a dielectric-pole term. Also considered is the phenomenon of plasma wave echoes. The case of longitudinal electrostatic waves is extended to the case of transverse plasma waves that propagate along an external magnetic field. It is shown that a transverse echo results in lowest order only when one excitation is transverse and the other is longitudinal.

Olson, C. L.↗

Application of EREP imagery to fracture-related mine safety hazards and environmental problems in mining

The author has identified the following significant results. All Skylab 2 imagery received to date has been analyzed manually and data related to fracture analysis and mined land inventories has been summarized on map-overlays. A comparison of the relative utility of the Skylab image products for fracture detection, soil tone/vegetation contrast mapping, and mined land mapping has been completed. Numerous fracture traces were detected on both color and black and white transparencies. Unique fracture trace data which will contribute to the investigator's mining hazards analysis were noted on the EREP imagery; these data could not be detected on ERTS-1 imagery or high altitude aircraft color infrared photography. Stream segments controlled by fractures or joint systems could be identified in more detail than with ERTS-1 imagery of comparable scale. ERTS-1 mine hazards products will be modified to demonstrate the value of this additional data. Skylab images were used successfully to update a mined land map of Indiana made in 1972. Changes in mined area as small as two acres can be identified. As the Energy Crisis increases the demand for coal, such demonstrations of the application of Skylab data to coal resources will take on new importance.

Wier, C. E.↗

Examination of the observed synoptic scale cirrus cloud environment: The December 3-6 FIRE cirrus case study

Recently, Sassen provided evidence for supercooled water droplets in cirrus uncinus cell heads at temperatures between 40 and -50 C. Chemistry related to volcanic aerosol of stratospheric origin was evoked as an explanation for this phenomenon. Sassen speculated that injections of sulfuric acid droplets into the upper troposphere were accomplished by tropopause folds associated with subtropical jet streams. He also postulated global climatic perturbations due to the effect of these cirrus microphysical perturbations on radiative fluxes. Using data processing and objective analysis techniques described by Mace and Ackerman, the synoptic scale environment was examined for evidence of tropopause folds that may have served as a source mechanism of stratospheric aerosol in the upper troposphere.

Mace, Gerald G.↗

Air Separation Using Hollow Fiber Membranes

The NASA Glenn Research Center in partnership with the Ohio Aerospace Institute provides internship programs for high school and college students in the areas of science, engineering, professional administrative, and other technical areas. During the summer of 2004, I worked with Dr. Clarence T. Chang at NASA Glenn Research Center s combustion branch on air separation using hollow fiber membrane technology. . In light of the accident of Trans World Airline s flight 800, FAA has mandated that a suitable solution be created to prevent the ignition of fuel tanks in aircrafts. In order for any type of fuel to ignite, three important things are needed: fuel vapor, oxygen, and an energy source. Two different ways to make fuel tanks less likely to ignite are reformulating the fuel to obtain a lower vapor pressure for the fuel and or using an On Board Inert Gas Generating System (OBIGGS) to inert the Central Wing Tank. goal is to accomplish the mission, which means that the Air Separation Module (ASM) tends to be bulky and heavy. The primary goal for commercial aviation companies is to transport as much as they can with the least amount of cost and fuel per person, therefore the ASM must be compact and light as possible. The plan is to take bleed air from the aircraft s engines to pass air through a filter first to remove particulates and then pass the air through the ASM containing hollow fiber membranes. In the lab, there will be a heating element provided to simulate the temperature of the bleed air that will be entering the ASM and analysis of the separated air will be analyzed by a Gas Chromatograph/Mass Spectrometer (GC/MS). The GUMS will separate the different compounds in the exit streams of the ASM and provide information on the performance of hollow fiber membranes. Hopefully I can develop ways to improve efficiency of the ASM. different types of jet fuel were analyzed and data was well represented on SAE Paper 982485. Data consisted of the concentrations of over 300 different hydrocarbons commonly found in JP- 8, Jet A, and JP-5 fuels. I researched the major hydrocarbons that has a concentration of greater than 50 parts per million and found the vapor pressure data coefficients for a specific temperature range. The coefficients were applied to Antoine s Equation and Riedel's Equation to calculate the vapor pressures for that specific hydrocarbon in the specific temperature range. With the vapor pressure data scientists can formulate a fuel composition that has a lower vapor pressure profile, therefore making jet fuels less flammable. work, learn how to operate and examine the data from Gas Chromatograph and Mass Spectrometer, and develop new ways in applying hollow fiber membrane technology to other areas of environmental engineering. The United States military currently uses air separation technology and their primary The other side of making air travel safer is to reformulate the fuel. Analyses of three My goal this summer is to learn about hollow fiber membrane technologies and how they

Huang, Stephen E.↗

Shifting Surface Currents in the Northern North Atlantic Ocean

Analysis of surface drifter tracks in the North Atlantic Ocean from the time period 1990 to 2006 provides the first evidence that the Gulf Stream waters can have direct pathways to the Nordic Seas. Prior to 2000, the drifters entering the channels leading to the Nordic Seas originated in the western and central subpolar region. Since 2001 several paths from the western subtropics have been present in the drifter tracks leading to the Rockall Trough through which the most saline North Atlantic Waters pass to the Nordic Seas. Eddy kinetic energy from altimetry shows also the increased energy along the same paths as the drifters, These near surface changes have taken effect while the altimetry shows a continual weakening of the subpolar gyre. These findings highlight the changes in the vertical structure of the northern North Atlantic Ocean, its dynamics and exchanges with the higher latitudes, and show how pathways of the thermohaline circulation can open up and maintain or increase its intensity even as the basin-wide circulation spins down.

Hakkinen, Sirpa↗

Mars InSight Entry, Descent, and Landing Trajectory and Atmosphere Reconstruction

The InSight mission landed on the surface of Mars on November 26th, 2018. The InSight system performance met all design requirements, although several performance metrics fell near the boundaries of the predictions. The peak deceleration was high, the overall timeline was short, and the landing site was uprange and crossrange from the target. This paper describes the reconstruction of the entry, descent, and landing trajectory and atmosphere. The approach utilizes a Kalman filter to blend sensor data to obtain the vehicle trajectory. The aerodynamic database is used in combination with the sensed accelerations to obtain estimates of the atmosphere-relative state, which in turn is used to derive the free-stream atmospheric conditions during entry, until the time of parachute deployment. The results indicate that the reconstructed atmosphere was approximately 1σbelow the preflight atmosphere. Analysis of the reconstructed vehicle attitude angles indicate that the aerodynamic lift was oriented downward at entry. The vehicle developed a roll rate during entry, which directed a component of the lift to the north. The low density and aerodynamic lift direction are determined to be the primary causes of the high deceleration, short timeline, and location of the landing site relative to the target.

Christopher D Karlgaard↗

Mars InSight Entry, Descent, and Landing Trajectory and Atmosphere Reconstruction

The InSight mission landed on the surface of Mars on November 26th, 2018. The InSight system performance met all design requirements, although several performance metrics fell near the boundaries of the predictions. The peak deceleration was high, the overall timeline was short, and the landing site was uprange and crossrange from the target. This paper describes the reconstruction of the entry, descent, and landing trajectory and atmosphere. The approach utilizes a Kalman filter to blend sensor data to obtain the vehicle trajectory. The aerodynamic database is used in combination with the sensed accelerations to obtain estimates of the atmosphere-relative state, which in turn is used to derive the free-stream atmospheric conditions during entry, until the time of parachute deployment. The results indicate that the reconstructed atmosphere was approximately 1σbelow the preflight atmosphere. Analysis of the reconstructed vehicle attitude angles indicate that the aerodynamic lift was oriented downward at entry. The vehicle developed a roll rate during entry, which directed a component of the lift to the north. The low density and aerodynamic lift direction are determined to be the primary causes of the high deceleration, short timeline, and location of the landing site relative to the target.

Christopher D Karlgaard↗

Meter-Based Assessment of the Time and Locational Benefits of a Large Utility’s DSM Portfolio

As decarbonization goals drive increasing levels of renewable generation, there is a need to understand the time- and location-based savings benefits of demand-side management (DSM) programs. The challenges of the 'duck curve' are driving the utility industry to consider how programs can be optimized to match demand profiles with low carbon generation resources. From an infrastructure standpoint, time- and location-targeted DSM could serve as a ‘non-wires alternative’ (NWA) to defer equipment upgrades. Additional DSM value streams are motivating innovation in savings evaluation, providing more resolved insights beyond the total annual program impact. Methods grounded in the principles of billing analysis, leveraging hourly metering at the distribution grid, can provide new visibility into the spatial and temporal savings achieved through DSM. A large body of work has investigated related topics including interval meter-based savings analysis, the time- varying nature of efficiency measures, and NWA. A less studied topic concerns the impact of DSM on the grid, based on metered consumption. This paper presents an analysis of interval data across more than 25,000 customers and twelve substations, from the Sacramento Municipal Utility District. The results show for different locations on the grid: achieved savings and the impact on grid consumption; hourly savings shapes for DSM program participants and non-participants, and how those shapes vary with season; and the impact of the programs on peak demand. These findings show the current impact of DSM, with implications for future, more intentional targeting as the utility continues to pursue aggressive electrification, efficiency, load flexibility, and reliable NWA.

Granderson, Jessica↗

Assessment of a parabolic analysis for axisymmetric internal flows in rocket and turbomachinery ducts

The flow paths in gas turbine passages encompass a wide range of flow properties such as Reynolds number and Mach number as well as many other variable flow conditions such as swirl, free-stream turbulence, and laminar/turbulent transition. An existing computer program, the Axisymmetric Diffuser Duct (ADD) code, which calculates compressible, turbulent, swirling flow through axisymmetric ducts has been modified to include the effects of free-stream turbulence and laminar/turbulent transition. The program has been evaluated on a matrix of test cases to determine its accuracy, robustness, and limits of applicability. This improved version of the ADD code calculates solutions which compare well with available data and can now be applied to a wider range of problems than previously possible. In addition a concept called local enhancement was developed and tested on a simple two-dimensional geometry in order to demonstrate a method to reduce computer time. In this concept the pressure distribution is calculated on a coarse grid using the ADD code and the viscous layer is locally enhanced using a boundary layer analysis. By applying this concept, an order of magnitude reduction in computer time was possible without any loss in accuracy.

Power, G. D.↗

Integrated System Health Management: Pilot Operational Implementation in a Rocket Engine Test Stand

This paper describes a credible implementation of integrated system health management (ISHM) capability, as a pilot operational system. Important core elements that make possible fielding and evolution of ISHM capability have been validated in a rocket engine test stand, encompassing all phases of operation: stand-by, pre-test, test, and post-test. The core elements include an architecture (hardware/software) for ISHM, gateways for streaming real-time data from the data acquisition system into the ISHM system, automated configuration management employing transducer electronic data sheets (TEDS?s) adhering to the IEEE 1451.4 Standard for Smart Sensors and Actuators, broadcasting and capture of sensor measurements and health information adhering to the IEEE 1451.1 Standard for Smart Sensors and Actuators, user interfaces for management of redlines/bluelines, and establishment of a health assessment database system (HADS) and browser for extensive post-test analysis. The ISHM system was installed in the Test Control Room, where test operators were exposed to the capability. All functionalities of the pilot implementation were validated during testing and in post-test data streaming through the ISHM system. The implementation enabled significant improvements in awareness about the status of the test stand, and events and their causes/consequences. The architecture and software elements embody a systems engineering, knowledge-based approach; in conjunction with object-oriented environments. These qualities are permitting systematic augmentation of the capability and scaling to encompass other subsystems.

Figueroa, Fernando↗