Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Upgrade”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 685 records · Page 38

Performance of Structural Alloys in Bio-oil Production, Upgrading, and Storage Systems

Selection of corrosion-resistant, cost-effective structural materials for the process and containment vessels required for the production, upgrading, and storage of biomass-derived oils has been the subject of study in our laboratory for many years. The wide variety of biomass resources and the many liquefaction techniques and processing conditions result in products with a broad range of properties and compositions. Here, this paper will address the materials issues in three distinct areas. In production, materials are exposed to temperatures that range from 350 to 550 °C depending upon the process. Generally, austenitic stainless steels have performed reasonably well, although thicker oxide scales and intergranular attack have sometimes been observed. For storage and transport of the bio-oil products, temperatures experienced by the containment materials are not expected to exceed 50 °C. Our studies have shown that most raw bio-oils contain significant concentrations of organic acids, and low-molecular-weight organic acids were quite corrosive to carbon and low alloy steels. For some applications, subsequent processing is required, which includes hydrotreating or co-processing with a petroleum-derived liquid. These processes utilize a catalyst that requires periodic retreatment with a sulfidizing gas, and the exposure to this gas at elevated temperatures can cause appreciable corrosion to the more common austenitic stainless steels. The materials considered most cost-effective and sufficiently corrosion-resistant for each of these environments were identified.

36 MATERIALS SCIENCE↗

Concordant Mode Approach (CMA): Vibrational Analysis of New and Upgraded Intermolecular Benchmarks for Noncovalent Bonding

The Concordant Mode Approach (CMA) is a novel method that offers tremendous potential for increasing the system size and the level of theory attainable in quantum chemical computations of molecular vibrational frequencies. To investigate the extension of CMA to intermolecular vibrations, computations with coupled cluster singles and doubles with perturbative triples theory [CCSD(T)] using two augmented correlation-consistent polarized-valence triple-ζ basis sets (aug-cc-pVTZ or h-aug-ccpVTZ) were performed on 17 prototypical loosely bound complexes of hydrogen-bonded, dispersion, and mixed character. These Level A results provide new and upgraded benchmarks for noncovalent bonding and a severe test for CMA vibrational analyses. The Level A target frequencies were recovered remarkably well using second-order Møller−Plesset perturbation theory (MP2) with h-aug-cc-pVTZ for generating the underlying (Level B) normal modes of the CMA scheme. Employing this Level B within the lowest-rung CMA-0A method reproduces the 435 benchmark frequencies with a mean absolute error (MAE) of 0.23 cm −1 and a corresponding standard deviation (σ) of 0.84 cm −1 ; strikingly, the corresponding subset of 106 interfragment frequencies exhibits MAE = 0.34 cm −1 and σ = 0.90 cm −1 . Subsequent application of the higher-rung CMA-2A scheme eliminates all outliers and reduces the overall MAE to a minuscule 0.08 cm −1 with the inclusion of only 3.0% of the off-diagonal couplings not accounted for by CMA-0A. Accordingly, the highly efficient CMA methodology proves to be robust even for vibrations on flat potential energy surfaces.

Aromatic compounds↗

Confinement-Controlled Rearrangements in Dioxolane Upgrading on H-ZSM-5 Revealed by Periodic DFT

Zeolitic Brønsted acid sites catalyze carbocation rearrangements central to upgrading biomass-derived oxygenates. Here we elucidate the mechanism of dioxolane conversion to methyl ethyl ketone and isobutanal on H-ZSM-5 using periodic density functional theory on the MFI model, complemented by ab initio molecular dynamics to probe confinement effects. Dioxolane adsorption at the Brønsted site is followed by protonation-assisted ring opening to form an oxocarbenium intermediate stabilized by the deprotonated framework. From this common intermediate, selectivity is governed by two competing rearrangements, namely, the 1,2-hydride shift with a free-energy barrier of 18.05 kcal mol –1 at 498 K leading toward MEK, and the 1,2-methyl shift with a higher barrier of 25.40 kcal mol –1 leading toward isobutanal. The hydride-shift channel is kinetically preferred over the methyl-shift channel, lowering the isobutanal/MEK ratio below the 3:1 limit expected for equal branching. Adsorption thermodynamics further indicate stronger stabilization of MEK than isobutanal within ZSM-5 channels, suggesting that confinement-controlled binding can bias product distributions in addition to intrinsic rearrangement barriers. These results highlight how Brønsted acidity and pore confinement jointly shape the rearrangement landscape in MFI zeolites.

adsorption↗

Catalytic Upgrading in Bacteria-Compatible Conditions via a Biocompatible Aldol Condensation

Integrating non-enzymatic chemistry with living systems has the potential to greatly expand the types and yields of chemicals that can be sourced from renewable feedstocks. The in situ conversion of microbial metabolites to higher order products will ensure their continuous generation starting from a given cellular reaction mixture. We present here a systematic study of different organocatalysts that enable aldol condensation in biological media under physiological conditions of neutral pH, moderate temperature, and ambient pressure. The relative toxicities of each catalyst were tested against bacteria, and the catalysts were found to provide good yields of homoaldol products in bacterial cultures containing aldehydes. Lastly, we demonstrate that a biocompatible oil can be used to selectively extract the upgraded products, which enabes facile isolation and decreases the product toxicity to microbes.

2-ethylhexenal↗

Deactivation of Multilayered MFI Nanosheet Zeolite during Upgrading of Biomass Pyrolysis Vapors

Here, the catalytic fast pyrolysis (CFP) of biomass is a promising technology for producing renewable transportation fuels and chemicals. MFI-type catalysts have shown promise for CFP because they produce gasoline range hydrocarbons from oxygenated pyrolysis compounds; however, rapid catalyst deactivation due to coking is one of the major technical barriers inhibiting the commercialization of this technology. Coke deposited on the surface of the catalysts blocks access to active sites in the micropores leading to rapid catalyst deactivation. Our strategy is to minimize rapid catalyst deactivation by adding mesoporosity through forming MFI nanosheet materials. The synthesized MFI nanosheet catalysts were fully characterized and evaluated for cellulose pyrolysis vapor upgrading to produce olefins and aromatic hydrocarbons. The data obtained from pyrolysis-GCMS (py-GCMS), showed that fresh MFI nanosheets produced similar aromatic hydrocarbon and olefin yields compared to conventional HZSM-5. However, MFI nanosheets demonstrated a longer lifetime than HZSM-5 even though coke contents were also higher than for HZSM-5 because the mesopores enabled better accessibility to active acid sites. This conclusion was supported by results from post-reaction analysis of various spent catalysts collected at different points during the deactivation experiments.

09 BIOMASS FUELS↗

High-throughput dataset of impurity adsorption on common catalysts in biomass upgrading applications

Abstract An extensive dataset consisting of adsorption energies of pernicious impurities present in biomass upgrading processes on common catalysts and support materials has been generated. This work aims to inform catalyst and process development for the conversion of biomass-derived feedstocks to fuels and chemicals. A high-throughput workflow was developed to execute density functional theory calculations for a diverse set of atomic (Al, B, Ca, Cl, Fe, K, Mg, Mn, N, Na, P, S, Si, Zn) and molecular (COS, H 2 S, HCl, HCN, K 2 O, KCl, NH 3 ) species on 35 unique surfaces for transition-metal (Ag, Au, Co, Cu, Fe, Ir, Ni, Pd, Pt, Re, Rh, Ru) and metal-oxide (Al 2 O 3 , MgO, anatase-TiO 2 , rutile-TiO 2 , ZnO, ZrO 2 ) catalysts and supports. Approximately 3,000 unique adsorption geometries and corresponding adsorption energies were obtained.

09 BIOMASS FUELS↗

Techno-economic analysis for upgrading the biomass-derived ethanol-to-jet blendstocks

Here, this study summarizes the detailed techno-economic analysis of the ethanol-to-jet (ETJ) process based on two different feedstocks (corn grain and corn stover) at the plant scale of 2000 dry metric tons per day. Ethanol biologically derived from biomass is upgraded catalytically to jet blendstocks via alcohol dehydration, olefin oligomerization, and hydrotreating. In both pathways, corn-grain-derived ethanol to jet (corn mill ETJ) and corn-stover-derived ethanol to jet (corn stover ETJ), there are portions of gasoline and diesel produced as coproducts. Two cost bases are used in this study: the minimum jet fuel selling prices (MJSP) for jet-range blendstocks and the minimum fuel selling prices (MFSP) for all the hydrocarbons (gasoline, jet, and diesel) produced using a gallon gasoline equivalent (GGE) basis. The n th -plant MJSPs for the two pathways are estimated to be 4.20 per gal for corn mill and 6.14 per gal for corn stover, while MFSPs are 3.91 per GGE for corn mill and 5.37 per GGE for corn stover. If all of the hydrocarbon products (gasoline, jet, and diesel ranges) can be considered as fuel blendstocks using a GGE basis, the total hydrocarbon yield for fuel blendstock is 49.6 GGE per dry ton biomass for corn stover and 71.0 GGE per dry ton biomass for corn grain. The outcome of this study shows that the renewable jet fuel could be cost competitive with fossil derived jet fuel if further improvements could be made to increase process yields (particularly yields of sugars, sugar to ethanol, and ethanol to hydrocarbons), research and development of sustainable feedstocks, and more effective catalytic reaction kinetics. Pioneer plant analysis, which considers the increased capital investment and the decreased plant performance over the nth-plant analysis, is also performed, showing a potential 31%–178% increase in cost compared to the n th -plant assumptions for the dry mill pathway, but with a much wider range of 69%–471% cost increase over the n th -plant assumptions for the corn stover pathway. While there are large differences between the estimated first of a kind plant cost and the targeted nth-plant case, reduction of costs is possible through improvement of the overall process efficiency, yields, reduction in overall capital, co-product revenues and strategically improve performance by process learnings.

09 BIOMASS FUELS↗

Performance history and upgrades for the DIII-D gyrotron complex

The gyrotron installation on the DIII-D tokamak has been in operation at the second harmonic of the electron cyclotron resonance since the mid-1990s. Prior to that a large installation of ten 60 GHz tubes was operated at the fundamental resonance. The system has been upgraded regularly and is an everyday tool for experiments on DIII-D.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Overview of recent turbulence studies across multiple confinement modes at the ASDEX Upgrade tokamak using the Correlation Electron Cyclotron Emission diagnostic

This work presents an overview of recent and ongoing experimental measurements of core and edge turbulence across multiple confinement regimes using the Correlation Electron Cyclotron Emission (CECE) diagnostic at the ASDEX Upgrade (AUG) tokamak. A common goal among these investigations is to identify how the properties of the turbulent electron temperature fluctuations measured by CECE influence and regulate the unique transport characteristics of each confinement regime, including L-mode, I-mode, ELMy H-mode, and ELM-free H-mode. Optics and signal processing methods to aid in the analysis and interpretation of experimental turbulence results are also presented. These methods, and particularly the down-sampling and ensemble averaging method, are relevant to a wide variety of fusion and non-fusion applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The compact neutron spectrometer at ASDEX Upgrade

The first neutron spectrometer of ASDEX Upgrade (AUG) was installed in November 2008. It is a compact neutron spectrometer (CNS) based on a BC501A liquid scintillating detector, which can simultaneously measure 2.45-MeV and 14-MeV neutrons emitted from deuterium (D) plasmas and {gamma} radiation. The scintillating detector is coupled to a digital pulse shape discrimination data acquisition (DPSD) system capable of count rates up to 10{sup 6} s{sup -1}. The DPSD system can operate in acquisition and processing mode. With the latter n-{gamma} discrimination is performed off-line based on the two-gate method. The paper describes the tests of the CNS and its installation at AUG. The neutron emission from the D plasma measured during a discharge with high auxiliary heating power was used to validate the CNS performance. The study of the optimal settings for the DPSD data processing to maximize the n-{gamma} discrimination capability of the CNS is reported. The CNS measured both 2.45-MeV and 14-MeV neutrons emitted in AUG D plasmas with a maximum count rate of 5.4 x10{sup 5} s{sup -1} (>10 times higher than similar spectrometers previously achieved) with an efficiency of 9.3 x 10{sup -10} events per AUG neutron.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Density profile sensitivity study of ASDEX Upgrade ICRF Antennas with the TOPICA code

During operation of the ASDEX Upgrade (AUG) ion cyclotron radio frequency (ICRF) system, Tungsten (W)-coated poloidal limiters and structures connected along magnetic field lines to the antenna can be sources of W, which is attributed to sputtering by ions accelerated in radio frequency (RF) sheaths. In order to analyze and optimize the ICRF antenna performance, accurate and efficient simulation tools are necessary. TOPICA code was developed for analysis of ICRF antenna systems with plasma loading conditions modeled with ID FELICE code. This paper presents an initial comparative analysis of two AUG ICRF antennas for a set of model plasma density profiles (with varying density gradient and antenna cut-off distance). The antennas are presently installed in AUG and differ in that one was partially optimized using HFSS code to reduce E{sub ||} near fields. Power transferred to plasma and sheath driving RF potentials are computed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Tore Supra LH transmitter upgrade, a new RF driver for the power spectrum

New real time tools have been developed for testing new 700kW/3.7GHz/CW klystrons and for the operations on very long plasma shots. After the commissioning of the 18 series tubes on the high power test bed facility, the installation of the first 8 klystrons in the Tore Supra transmitter and the adjustment tests on load, this upgrade work has been materialized during the last 2010 campaign by a successful operation on the Full Active Multijunction (FAM) C3 antenna, with new performances: 3.5MW/40s on plasma. The RF output power control in amplitude and phase has been improved for a better control of the wave spectrum launched into the plasma. The new klystrons have no modulating anode and the high cathode voltage must be adjusted with the RF input power in order to optimize the RF output power with a minimization of the thermal power losses in the collector. A new phase correction, depending on the 3 RF output power ranges used, has been introduced. The improvements made in 2009 and 2010 on the generic phase loop and the procedures used during the real time tests of the RF transfer functions in amplitude and phase are detailed below. All RF measurements systems, RF safety systems and the RF calibration procedures have been revised in order to have the best consistency, reproducibility and with a measurement error against the calorimetry measurement lower than 10%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Upgrade of the Resonance Ionization Mass Spectrometer for Precise Identification of Failed Fuel in a Fast Reactor

Isotopic analysis of krypton (Kr) and xenon (Xe) by resonance ionization mass spectrometry (RIMS) is an effective tool for identification of failed fuel in fast reactors to achieve their safety operation and high plant availability. Reliability of the failed fuel detection and location (FFDL) system depends on the precise determination of {sup 78}Kr/{sup 80}Kr, {sup 82}Kr/{sup 80}Kr and {sup 126}Xe/{sup 129}Xe isotopic ratios, which is mainly hampered by statistical errors for detection of the corresponding isotopes except {sup 82}Kr generated in large amounts during operation of fast reactors. In this paper, we report on improvements of the laser optical system of our spectrometer to increase the resonance ionization efficiency of Kr and Xe atoms, focusing on (i) utilization of the uniform YAG laser beam to improve the wavelength conversion efficiency of sum frequency generation and (ii) reflection of the ultraviolet light by a concave mirror to increase the photon density. The results indicate that our upgraded resonance ionization mass spectrometer has enough performance for isotopic analysis of Kr and Xe required in the Monju FFDL system.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Design and performance of the collective Thomson scattering receiver at ASDEX Upgrade

Here we present the design of the fast-ion collective Thomson scattering receiver for millimeter wave radiation installed at ASDEX Upgrade, a tokamak for fusion plasma experiments. The receiver can detect spectral power densities of a few eV against the electron cyclotron emission background on the order of 100 eV under presence of gyrotron stray radiation that is several orders of magnitude stronger than the signal to be detected. The receiver down converts the frequencies of scattered radiation (100-110 GHz) to intermediate frequencies (IF) (4.5-14.5 GHz) by heterodyning. The IF signal is divided into 50 IF channels tightly spaced in frequency space. The channels are terminated by square-law detector diodes that convert the signal power into DC voltages. We present measurements of the transmission characteristics and performance of the main receiver components operating at mm-wave frequencies (notch, bandpass, and lowpass filters, a voltage-controlled variable attenuator, and an isolator), the down-converter unit, and the IF components (amplifiers, bandpass filters, and detector diodes). Furthermore, we determine the performance of the receiver as a unit through spectral response measurements and find reasonable agreement with the expectation based on the individual component measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Improved chopping of a lithium beam for plasma edge diagnostic at ASDEX Upgrade

The lithium beam diagnostic at ASDEX Upgrade routinely delivers electron density profiles in the plasma edge by lithium beam impact excitation spectroscopy. An accurate background subtraction requires a periodically chopped lithium beam. A new, improved chopping system was developed and installed. It involves a voltage modulation for the extractor electrode and the beam deflection plates. The modulation of the extractor electrode reduces the unused portion of lithium ions and improves the stability of the beam with respect to its position. Furthermore, the data indicate an extended emitter lifetime. The extractor chopping was also found to be insensitive to sparks. The deflection chopping experiments demonstrated beam chopping in the kilohertz range. The significantly higher modulation frequency of the deflection chopping improves background subtraction of fast transient events. It allows a more accurate density measurements in the scrape off layer during impurity injections and edge localized modes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗