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At least 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Modeling of Reactor Design and Optimization for Scale-Up of the Catalyxx Process for Ethanol Conversion to Higher Alcohol Biofuels

This report summarizes the results of a collaborative efforts between Oak Ridge National Laboratory (ORNL) and Catalyxx Inc. to investigate scale-up of Catalyxx’s Ethanol upgrading to higher alcohols process. The study was funded by the U.S. Department of Energy (DOE) Bioenergy Technologies Office (BETO) under CRADA (Cooperative Research and Development Agreement) No: NFE-20-08396. The project is part of the Direct Funding Opportunity (DFO) for Computational Science to Enable Bioenergy program which utilized computational toolsets developed by the Consortium for Computational Physics and Chemistry, a multi-laboratory consortium in BETO. The report here summarizes a packed-bed reactor modeling effort spanning the range from lab to industrial scale (from 4 gram to 5-ton catalyst beds), and examining reactor design, process optimization strategies, and suggested design and operating conditions for Catalyxx’s ethanol upgrading plants. The results in this report have been shared in monthly steering meetings and presentations are available in the shared data house owned by Catalyxx. The modeling effort helped to define optimum operation conditions for maximum alcohol selectivity and yield: i.e., temperature control scenarios ranging from adiabatic to isothermal, feed rate, pressure, and inlet H 2 /Ethanol ratio. The modeling results were verified at lab-(4 gram) and pre-pilot (4 kg) scales and has been used to evaluate a 5-ton packed-bed reactor and identify operating conditions to maximize the butanol yield. Special focus was given to understanding mass-transfer effects in the pre-pilot and pilot-scale reactors, over the domain of flow rate, pressure, feed composition, pellet size, shape, porosity, bed voidage, and reactor dimensions (i.e., length/diameter). Modeling was also used to evaluate innovative reactor design concepts such as water removal to improve alcohol selectivity and yield, and a reactor with an additional side inlet to facilitate quenching. These concepts were thoroughly explored, and potential benefits were disclosed. The results in this report are summarized and described qualitatively to protect the IP rights of Catalyxx. The details have been shared with the Catalyxx team in the regular steering meetings. At the end of the project, Catalyxx Inc. announced a successful demonstration of pilot scale operation in Seville, Spain.

02 PETROLEUM↗
DOE OSTI2022

Distances to Prompt Effects for a Nuclear Device

In 2010, nuclear weapon effects experts at Sandia National Laboratories (SNL) were asked to provide a quick reference document containing estimated prompt nuclear effects. This report is an update to the 2010 document that includes updated model assumptions. This report addresses only the prompt effects associated with a nuclear detonation (e.g., blast, thermal fluence, and prompt ionizing radiation). The potential medium- and longer-term health effects associated with nuclear fallout are not considered in this report because, in part, of the impracticality of making generic estimates given the high dependency of fallout predictions on the local meteorological conditions at the time of the event. The results included in this report also do not consider the urban environment (e.g., shielding by or collapse of structures) which may affect the extent of prompt effects. It is important to note that any operational recommendations made using the estimates in this report are limited by the generic assumptions considered in the analysis and should not replace analyses made for a specific scenario/device. Furthermore, nuclear effects experts (John Hogan, SNL, and Byron Ristvet, Defense Threat Reduction Agency (DTRA)) have indicated that the accuracy of effects predictions below 0.5 kilotons (kT) or 500 tons nuclear yield have greater uncertainty because of the limited data available for the prompt effects in this regime. The Specialized Hazard Assessment Response Capability (SHARC) effects prediction tool was used for these analyses. Specifically, the NUKE model within SHARC 2021 Version 10.2 was used. NUKE models only the prompt effects following a nuclear detonation. The algorithms for predicting range-to-output data contained within the NUKE model are primarily based on nuclear test effects data. Probits have been derived from nuclear test data and the U.S. Environmental Protection Agency (EPA) protective action guides. Probits relate the probability of a hazard (e.g., fatality or injury) caused by a given insult (e.g., overpressure, thermal fluence, dose level). Several probits have been built into SHARC to determine the fatality and injury associated with a given level of insult. Some of these probits differ with varying yield. Such probits were used to develop the tables and plots in this report.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Effects of Genetic and Physiological Divergence on the Evolution of a Sulfate-Reducing Bacterium under Conditions of Elevated Temperature

ABSTRACT Adaptation via natural selection is an important driver of evolution, and repeatable adaptations of replicate populations, under conditions of a constant environment, have been extensively reported. However, isolated groups of populations in nature tend to harbor both genetic and physiological divergence due to multiple selective pressures that they have encountered. How this divergence affects adaptation of these populations to a new common environment remains unclear. To determine the impact of prior genetic and physiological divergence in shaping adaptive evolution to accommodate a new common environment, an experimental evolution study with the sulfate-reducing bacterium Desulfovibrio vulgaris Hildenborough (DvH) was conducted. Two groups of replicate populations with genetic and physiological divergence, derived from a previous evolution study, were propagated in an elevated-temperature environment for 1,000 generations. Ancestor populations without prior experimental evolution were also propagated in the same environment as a control. After 1,000 generations, all the populations had increased growth rates and all but one had greater fitness in the new environment than the ancestor population. Moreover, improvements in growth rate were moderately affected by the divergence in the starting populations, while changes in fitness were not significantly affected. The mutations acquired at the gene level in each group of populations were quite different, indicating that the observed phenotypic changes were achieved by evolutionary responses that differed between the groups. Overall, our work demonstrated that the initial differences in fitness between the starting populations were eliminated by adaptation and that phenotypic convergence was achieved by acquisition of mutations in different genes. IMPORTANCE Improving our understanding of how previous adaptation influences evolution has been a long-standing goal in evolutionary biology. Natural selection tends to drive populations to find similar adaptive solutions for the same selective conditions. However, variations in historical environments can lead to both physiological and genetic divergence that can make evolution unpredictable. Here, we assessed the influence of divergence on the evolution of a model sulfate-reducing bacterium, Desulfovibrio vulgaris Hildenborough, in response to elevated temperature and found a significant effect at the genetic but not the phenotypic level. Understanding how these influences drive evolution will allow us to better predict how bacteria will adapt to various ecological constraints.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1992

Use of microgravity to improve the efficiency and power output of Nd-doped laser glasses

The objectives of this research are to: (1) obtain further evidence and understand the science for the reported improvement in chemical homogeneity in glasses prepared in microgravity; and (2) study the feasibility of improving the optical and fluorescence properties, particularly, the limit for Nd(+3) concentration quenching and threshold energy for laser action for laser glasses prepared in microgravity. Attention was directed to ground based investigation whose primary purpose was to determine the suitability and conditions for processing these laser glasses in space. This report describes that the scientific and technical information required for planning flight experiments for these glasses have been obtained, and the preparation for handling and analyzing post flight samples have also been taken. Instruments required for measuring the fluorescence properties of interest have been constructed. The optical and fluorescence properties for the glasses have been measured and made available for comparative property analysis.

Ray, Chandra S.↗
DOE OSTI2020

Variability Analysis of FMVSS-121 Air Brake Systems: 60-mi/hr Service Brake System Performance Data for Truck Tractors

In support of the Federal Motor Carrier Safety Administration’s (FMCSA’s) ongoing interest in connected and automated commercial vehicles, this report summarizes analyses conducted to quantify variability in stopping distance tests conducted on commercial truck tractors. The data used were retrieved from tests performed under the controlled conditions specified for FMVSS-121 air brake system compliance testing. The report explores factors affecting the variability of the service brake stopping distance as defined by 49 CFR 571.121, S5.3.1 Stopping Distance—trucks and buses stopping distance. Variables examined in this analysis include brake type, weight, wheelbase, and tractor antilock braking system (ABS). This analysis uses existing test data collected between 2010 and 2019. Several of the examined parameters affected both tractor stopping distance and stopping distance variability. First, the average stopping distance for disc/disc brakes was shorter than either drum/drum or disc/drum brakes, but brake type did not have a statistically significant effect on stopping distance variability. Second, tractors with a gross vehicle weight rating (GVWR) of 45,000-50,000 lb had shorter stopping distances than any other examined weight category. Weight was found to have a significant effect on stopping distance variability; the 50,000-55,000-lb GVWR range had more variability than both the next lower (45,000-50,000 lb) and next higher (55,000-60,000 lb) range.

Lascurain, Mary Beth↗
DOE OSTI2020

Observations of wall conditioning by means of boron powder injection in DIII-D H-mode plasmas

In this paper, we report observations from the DIII-D tokamak indicating that boron (B) powder injection in tokamak plasmas improves wall conditions similarly to glow discharge boronization (GDB). Isotopically enriched B powder (B 11 > 95%) was introduced gravitationally in a sequence of H-mode plasma discharges at rates up to ~160 mg s -1 for durations up to 3 s. Boron injection to cumulative amounts ≤0.1 g appeared to improve wall conditions similarly to boronization, with indications of reduced wall fueling, reduced recycling at the outer strike point and reduced impurity content at breakdown. Post-mortem analysis of graphite samples exposed to far scrape-off layer plasma fluxes during boron injection confirm the formation of a B-C layer, with average surface composition B:C ~ 1. The results suggest that injecting boron-rich powders in tokamak plasmas can effectively replenish boron films on carbon plasma facing components to improve wall conditions and extend the duration of the beneficial effects of GDB.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Laser-Induced Photoreduction of Iron(III) Oxide Nanoparticles Enhanced by the Presence of Organic Chromophores

Light-induced electron transfer between chromophoric organic matter and Fe(III)-oxides lies at the heart of aqueous Fe(II) fluxes in the photic zone of natural systems. Understanding this photoreductive dissolution process is also essential for developing water purification techniques based on this class of materials. Previously, optical transient absorption spectroscopy (TAS) measurements revealed that sub-picosecond relaxation times of photo-excited rhodamine B (RhB) dye increased when sorbed onto hematite nanoparticles (HNPs), consistent with electron transfer to the oxide. Here, in the present study, we exploit time-resolved X-ray absorption spectroscopy (XAS) at the Fe K-edge to follow the Fe oxidation state for this same process to (i) confirm that RhB photoexcitation leads to interfacial electron transfer and Fe reduction; and (ii) quantify the lifetime of injected electrons as a function of solution conditions. Regardless of RhB dye availability and pH, direct band gap photoexcitation of HNPs yields an Fe(II)-like small polaronic absorption signature with a lifetime of ~ 1 ns, an order of magnitude longer than previously reported. However, when RhB is present at low pH under conditions where dye favorably interacts with the positively charged hematite surface, a second relaxation process approaching microsecond timescales is observed that likely represents back-reaction with the photoexcited adsorbed dye. At pH above neutral, the efficiency of the interfacial electron transfer is diminished by weaker interaction between sorbed dye and particle surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

Physical Conditions of a Lensed Star-Forming Galaxy at Z=1.7

We report rest-frame optical Keck/NIRSPEC spectroscopy of the brightest lensed galaxy yet discovered, RCSGA 032727-132609 at z=1.7037. From precise measurements of the nebular lines, we infer a number of physical properties: redshift, extinction, star formation rate, ionization parameter, electron density, electron temperature, oxygen abundance, and N/O, Ne/O, and Ar/O abundance ratios. The limit on [O III] 4363 A tightly constrains the oxygen abundance via the "direct" or Tc method, for the first time in all metallicity galaxy at z approx.2. We compare this result to several standard "bright-line" O abundance diagnostics, thereby testing these empirically calibrated diagnostics in situ. Finally, we explore the positions of lensed and unlensed galaxies in standard diagnostic diagrams, and explore the diversity of ionization conditions and mass-metallicity ratios at z=2.

Rigby, Jane↗
NASA NTRS2009

Chlorine Isotopes: As a Possible Tracer of Fluid/Bio-Activities on Mars and a Progress Report on Chlorine Isotope Analysis by TIMs

Significantly large mass fractionations between chlorine isotopes (Cl-35, Cl-37) have been reported for terrestrial materials including both geological samples and laboratory materials. Also, the chlorine isotopic composition can be used as a tracer for early solar system processes. Moreover, chlorine is ubiquitous on the Martian surface. Typical chlorine abundances in Gusev soils are approx.0.5 %. The global surface average chlorine abundance also is approx.0.5 %. Striking variations among outcrop rocks at Meridiani were reported with some chlorine abundances as high as approx.2%. Characterizing conditions under which chlorine isotopic fractionation may occur is clearly of interest to planetary science. Thus, we have initiated development of a chlorine isotopic analysis technique using TIMS at NASA-JSC. We present here a progress report on the current status of development at JSC and discuss the possible application of chlorine isotopic analysis to Martian meteorites in a search for fluid- and possibly biological activity on Mars.

Nakamura, N.↗
DOE OSTI2025

Boiling Water Capsule Irradiation Test Device Design Study Report

RELAP5 calculations were conducted to support an experimental design, referred to as water capsule, which can facilitate fuel performance testing within ATR. The main objective is to provide useful insights into the experimental design and operating strategies that can mimic LWR operating conditions within the spatial constraints of the ATR position under consideration. This report summarizes the RELAP5 analysis results based on the most recent water capsule design derived through various tests. To discuss a design under conservative conditions, fuel power is consistently assumed to be 400 W/m in all analyses.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2011

The Physical Conditions of a Lensed Star-Forming Galaxy at Z=1.7

We report rest-frame optical Keck/NIRSPEC spectroscopy of the brightest lensed galaxy yet discovered, RCSGA 032727-132609 at z=1.7037. From precise measurements of the nebular lines, we infer a number of physical properties: redshift ' extinction, star formation rate ' ionization parameter, electron density, electron temperature, oxygen abundance, and N/O, Ne/O, and Ar/O abundance ratios, The limit on [O III] 4363 A tightly constrains the oxygen abundance via the "direct" or Te method, for the first time in an average-metallicity galaxy at z approx.2. We compare this result to several standard "bright-line" O abundance diagnostics, thereby testing these empirically-calibrated diagnostics in situ. Finally, we explore the positions of lensed and unlensed galaxies in standard diagnostic diagrams, to explore the diversity of ionization conditions and mass-metallicity ratios at z=2.

Rigby, Jane↗
DOE OSTI2021

Metastability of Liquid Water Freezing into Ice VII under Dynamic Compression

The ubiquitous nature and unusual properties of water have motivated many studies on its metastability under temperature- or pressure-induced phase transformations. Here, nanosecond compression by a high-power laser is used to create the nonequilibrium conditions where liquid water persists well into the stable region of ice VII. Through our experiments, as well as a complementary theoretical/computational analysis based on classical nucleation theory, we report that the metastability limit of liquid water under nearly isentropic compression from ambient conditions is at least 8 GPa, higher than the 7 GPa previously reported for lower loading rates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1956

Theoretical and Experimental Investigation of the Effect of Tunnel Walls on the Forces on an Oscillating Airfoil in Two-Dimensional Subsonic Compressible Flow

This report presents a theoretical and experimental investigation of the effect of wind-tunnel walls on the air forces on an oscillating wing in two-dimensional subsonic compressible flow. A method of solving an integral equation which relates the downwash on a wing to the unknown loading is given, and some comparisons are made between the theoretical results and the experimental results. A resonance condition, which was predicted by theory in a previous report (NACA report 1150), is shown experimentally to exist. In addition, application of the analysis is made to a number of examples in order to illustrate the influence of walls due to variations in frequency of oscillation, Mach number , and ratio of tunnel height to wing semichord.

Runyan, Harry L↗
NASA NTRS2012

Flow Control Under Low-Pressure Turbine Conditions Using Pulsed Jets: Experimental Data Archive

This publication is the final report of research performed under an NRA/Cooperative Interagency Agreement, and includes a supplemental CD-ROM with detailed data. It is complemented by NASA/CR-2012-217416 and NASA/CR-2012-217417 which include a Ph.D. Dissertation and an M.S. thesis respectively, performed under this contract. In this study the effects of unsteady wakes and flow control using vortex generator jets (VGJs) were studied experimentally and computationally on the flow over the L1A low pressure turbine (LPT) airfoil. The experimental facility was a six passage linear cascade in a low speed wind tunnel at the U.S. Naval Academy. In parallel, computational work using the commercial code FLUENT (ANSYS, Inc.) was performed at Cleveland State University, using Unsteady Reynolds Averaged Navier Stokes (URANS) and Large Eddy Simulations (LES) methods. In the first phase of the work, the baseline flow was documented under steady inflow conditions without flow control. URANS calculations were done using a variety of turbulence models. In the second phase of the work, flow control was added using steady and pulsed vortex generator jets. The VGJs successfully suppressed separation and reduced aerodynamic losses. Pulsed operation was more effective and mass flow requirements are very low. Numerical simulations of the VGJs cases showed that URANS failed to capture the effect of the jets. LES results were generally better. In the third phase, effects of unsteady wakes were studied. Computations with URANS and LES captured the wake effect and generally predicted separation and reattachment to match the experiments. Quantitatively the results were mixed. In the final phase of the study, wakes and VGJs were combined and synchronized using various timing schemes. The timing of the jets with respect to the wakes had some effect, but in general once the disturbance frequency was high enough to control separation, the timing was not very important. This is the supplemental CD-ROM

Volino, Ralph J.↗
DOE OSTI2020

Ammonia-salt solvent promotes cellulosic biomass deconstruction under ambient pretreatment conditions to enable rapid soluble sugar production at ultra-low enzyme loadings

In this paper, we report a novel ammonia : ammonium salt solvent based pretreatment process that can rapidly dissolve crystalline cellulose into solution and eventually produce highly amorphous cellulose under near-ambient conditions. Pre-activating the cellulose I allomorph to its ammonia–cellulose swollen complex (or cellulose III allomorph) at ambient temperatures facilitated rapid dissolution of the pre-activated cellulose in the ammonia-salt solvent ( i.e. , ammonium thiocyanate salt dissolved in liquid ammonia) at ambient pressures. For the first time in reported literature, we used time-resolved in situ neutron scattering methods to characterize the cellulose polymorphs structural modification and understand the mechanism of crystalline cellulose dissolution into a ‘molecular’ solution in real-time using ammonia-salt solvents. We also used molecular dynamics simulations to provide insight into solvent interactions that non-covalently disrupted the cellulose hydrogen-bonding network and understand how such solvents are able to rapidly and fully dissolve pre-activated cellulose III. Importantly, the regenerated amorphous cellulose recovered after pretreatment was shown to require nearly ~50-fold lesser cellulolytic enzyme usage compared to native crystalline cellulose I allomorph for achieving near-complete hydrolytic conversion into soluble sugars. Lastly, we provide proof-of-concept results to further showcase how such ammonia-salt solvents can pretreat and fractionate lignocellulosic biomass like corn stover under ambient processing conditions, while selectively co-extracting ~80–85% of total lignin, to produce a highly digestible polysaccharide-enriched feedstock for biorefinery applications. Unlike conventional ammonia-based pretreatment processes ( e.g. , Ammonia Fiber Expansion or Extractive Ammonia pretreatments), the proposed ammonia-salt process can operate at near-ambient conditions to greatly reduce the pressure/temperature severity necessary for conducting effective ammonia-based pretreatments on lignocellulose.

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

Advanced Turbulence Models for Large-Scale Atmospheric Boundary Layer Flows

We present high-fidelity large-eddy-simulation (LES) modeling approaches for the turbulent atmospheric boundary layer (ABL) flows. Wind energy is a prime example of an application driven by ABL. Generation of electrical energy from farms of wind turbines at night in the stable ABL is a particularly interesting situation. In this report, we consider the well-known GEWEX (Global Energy and Water Cycle Experiment) Atmospheric Boundary Layer Study (GABLS) stably stratified benchmark LES case. We use a high-order spectral element code Nek5000/RS, which is supported under the DOE's Exascale Computing Project (ECP) Center for Efficient Exascale Discretizations (CEED) project, targeting application simulations on various acceleration-device based exascale computing platforms. In our earlier ANL report, we demonstrated our newly developed subgrid-scale (SGS) models based on high-pass filter (HPF), mean-field eddy viscosity (MFEV), and Smagorinsky (SMG) with no-slip and traction boundary conditions, provided with low-order statistics, convergence and turbulent structure analysis. In this report, we extend the range of our SGS modeling approaches in the context of the mean-field eddy viscosity (MFEV), to include the solution of an SGS turbulent kinetic energy equation (TKE). We demonstrate the model fidelity of Nek5000/RS in comparison to that of AMR-Wind, a block-structured second-order finite-volume code with adaptive-mesh-refinement capabilities, with which we studied scaling performance for both codes in comparison on DOE's leadership computing platforms.

17 WIND ENERGY↗
DOE OSTI2022

Scalable, Ultrathin, and High-Temperature-Resistant Solid Polymer Electrolytes for Energy-Dense Lithium Metal Batteries

We report all-solid-state batteries (ASSBs) demonstrate great promise, offering high energy density, good thermal stability, and safe operation compared with traditional Li-ion batteries. Among various solid-state electrolytes (SSEs), solid polymer electrolytes (SPEs) offer an attractive choice due to their thinness, low density, and good manufacturability. However, ultrathin SPEs that work with practical current densities or at high temperatures remain challenging, limiting applicable conditions of SPE-based batteries. Here, the authors report a novel scalable, ultrathin, and high-temperature-resistant SPE for ASSBs. This design includes an electrospun polyacrylonitrile (PAN) matrix and polyethylene oxide (PEO)/Li salt ionic conductor, which offers a stable LiF and Li 3 N containing SSE/Li interface. The unique interface—as well as the good mechanical strength—inhibits lithium dendrites and prevents short circuiting. As a result, symmetrical Li-Li cells deliver more than 300 h cyclability at 0.5 mA cm -2 . ASSBs fabricated with only 5 µm-thickness PAN-PEO/lithium bis(trifluoromethanesulfonyl)imide reach 300 cycles at 0.3 C rate at 60 °C. The excellent thermal stability of PAN also results in safer SPEs at high temperatures. The design extends battery operation up to temperatures of 120 and 150 °C, where it achieves 500 cycles at C/2 rate and 100 cycles at 2C rate, respectively.

25 ENERGY STORAGE↗
NASA NTRS1961

Trajectory Control in Rendezvous Problems Using Proportional Navigation

The rendezvous problem is defined by the end conditions that the position and velocity of a vehicle and its target are to be matched. In its present form proportional navigation theory allows the interception of a target by the vehicle, that is , the matching of positions. This report extends the theory to include the full rendezvous end conditions. Trajectory constraint equations are derived and the method of computing the required thrust program in idealized problems is outlined. The thrust program obtained results entirely from the trajectory and does not consider the dynamics of the vehicles or errors inherent in a real system. The properties of the thrust program, such as its variation both in magnitude and direction, are examined. An acceleration forcing function is also derived and its properties examined. The theory is applied to the satellite rendezvous problem as an example and some computations are presented.

Cicolani, Luigi S.↗