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At least 343 records · Page 19

Simulation of Transport Phenomena in Bubble Column Reactors

The production of carbon and hydrogen from methane is a viable pathway for monetizing the vast reserves of US natural gas. Liquid (metals and/or salts) bubble column reactors operating at temperatures greater than 1000° C allow the conversion of methane into hydrogen without CO 2 emission. The low-density carbon floats on top of the liquid surface, allowing an easier removal, compared to other reactor concepts for methane pyrolysis. In this current report, we present results from simulations of transport phenomena in a liquid bubble column reactor. The goal is to investigate and understand parameters that are crucial for bubble column reactor design and scale up. The report presents the formulation and numerical methods used in the multiphase direct numerical simulation software, Quilt. This software was validated for the bubbly flow using numerical and physics based test problems. Quilt was then used to perform simulations of the bubble column reactor as a parametric study, varying the bubble injection parameters. The simulations were visualized for qualitative analysis and followed up with a quantitative analysis. The effect of injection parameters on various quantitative measures of the bubble residence time, interfacial area and motion through the column are presented.

03 NATURAL GAS↗

Amino acid analysis

The process and apparatus for qualitative and quantitative analysis of the amino acid content of a biological sample are presented. The sample is deposited on a cation exchange resin and then is washed with suitable solvents. The amino acids and various cations and organic material with a basic function remain on the resin. The resin is eluted with an acid eluant, and the eluate containing the amino acids is transferred to a reaction vessel where the eluant is removed. Final analysis of the purified acylated amino acid esters is accomplished by gas-liquid chromatographic techniques.

Winitz, M.↗

The S-054 X-ray telescope experiment on Skylab

A description of the S-054 X-ray telescope on Skylab is presented with a discussion of the experimental objectives, observing program, data reduction and analysis. Some results from the Skylab mission are given. The telescope photographically records high-resolution images of the solar corona in several broadband regions of the soft X-ray spectrum. It includes an objective grating used to study the line spectrum. The spatial resolution, sensitivity, dynamic range and time resolution of the instrument were chosen to survey a wide variety of solar phenomena. It embodies improvements in design, fabrication, and calibration techniques which were developed over a ten-year period. The observing program was devised to optimize the use of the instrument and to provide studies on a wide range of time scales. The data analysis program includes morphological studies and quantitative analysis using digitized images. A small sample of the data obtained in the mission is presented to demonstrate the type of information that is available and the kinds of results that can be obtained from it.

Vaiana, G. S.↗

The Spectral Image Processing System (SIPS): Software for integrated analysis of AVIRIS data

The Spectral Image Processing System (SIPS) is a software package developed by the Center for the Study of Earth from Space (CSES) at the University of Colorado, Boulder, in response to a perceived need to provide integrated tools for analysis of imaging spectrometer data both spectrally and spatially. SIPS was specifically designed to deal with data from the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and the High Resolution Imaging Spectrometer (HIRIS), but was tested with other datasets including the Geophysical and Environmental Research Imaging Spectrometer (GERIS), GEOSCAN images, and Landsat TM. SIPS was developed using the 'Interactive Data Language' (IDL). It takes advantage of high speed disk access and fast processors running under the UNIX operating system to provide rapid analysis of entire imaging spectrometer datasets. SIPS allows analysis of single or multiple imaging spectrometer data segments at full spatial and spectral resolution. It also allows visualization and interactive analysis of image cubes derived from quantitative analysis procedures such as absorption band characterization and spectral unmixing. SIPS consists of three modules: SIPS Utilities, SIPS_View, and SIPS Analysis. SIPS version 1.1 is described below.

Kruse, F. A.↗

Building a Database for a Quantitative Model

A database can greatly benefit a quantitative analysis. The defining characteristic of a quantitative risk, or reliability, model is the use of failure estimate data. Models can easily contain a thousand Basic Events, relying on hundreds of individual data sources. Obviously, entering so much data by hand will eventually lead to errors. Not so obviously entering data this way does not aid linking the Basic Events to the data sources. The best way to organize large amounts of data on a computer is with a database. But a model does not require a large, enterprise-level database with dedicated developers and administrators. A database built in Excel can be quite sufficient. A simple spreadsheet database can link every Basic Event to the individual data source selected for them. This database can also contain the manipulations appropriate for how the data is used in the model. These manipulations include stressing factors based on use and maintenance cycles, dormancy, unique failure modes, the modeling of multiple items as a single "Super component" Basic Event, and Bayesian Updating based on flight and testing experience. A simple, unique metadata field in both the model and database provides a link from any Basic Event in the model to its data source and all relevant calculations. The credibility for the entire model often rests on the credibility and traceability of the data.

Kahn, C. Joseph↗

Hydrothermal Liquefaction Treatment Hazard Analysis Report

Hazard analyses were performed to evaluate the modular hydrothermal liquefaction treatment system. The hazard assessment process was performed in 2 stages. An initial assessment utilizing Hazard Identification and Preliminary Hazards Analysis (PHA) techniques identified areas with significant or unique hazards (process safety-related hazards) that fall outside of the normal operating envelope of PNNL and warranted additional analysis. The subsequent assessment was based on a qualitative What-If analysis. The analysis was augmented, as necessary, by additional quantitative analysis for scenarios involving a release of hazardous material or energy with the potential for affecting the public. The following selected hazardous scenarios received increased attention: •Scenarios involving a release of hazardous material or energy, controls were identified in the What-If analysis table that prevent the occurrence or mitigate the effects of the release. •Scenarios with significant consequences that could impact personnel outside the immediate operations area, quantitative analyses were performed to determine the potential magnitude of the scenario. The set of “critical controls” were identified for these scenarios (see Section 4) which prevent the occurrence or mitigate the effects of the release of events with significant consequences.

09 BIOMASS FUELS↗

Internal Standards For FTIR Analysis Of Isocyanurates

Concentration of isocyanurate in polyurethane foam measured. Quantitative analysis important because concentration of isocyanurate affects chemical and physical properties of foam, and correlations between concentration and properties used to optimize foam formulations. Use of potassium ferricyanide as internal standard extended to other infrared spectral analyses of solids in which quantitative results required. Eliminates need to know thickness of sample. Synthesis of triphenylisocyanurate extended to production of pure compounds from substituted phenylisocyanates added to test foam formulations to determine improvements in thermal properties with pure or substituted triphenylisocyanurate.

Solomon, William C.↗

Improved accuracy in quantitative laser-induced breakdown spectroscopy using sub-models

We report that accurate quantitative analysis of diverse geologic materials is one of the primary challenges faced by the Laser-Induced Breakdown Spectroscopy (LIBS)-based ChemCam instrument on the Mars Science Laboratory (MSL) rover. The SuperCam instrument on the Mars 2020 rover, as well as other LIBS instruments developed for geochemical analysis on Earth or other planets, will face the same challenge. Consequently, part of the ChemCam science team has focused on the development of improved multivariate analysis calibrations methods. Developing a single regression model capable of accurately determining the composition of very different target materials is difficult because the response of an element’s emission lines in LIBS spectra can vary with the concentration of other elements. We demonstrate a conceptually simple “submodel” method for improving the accuracy of quantitative LIBS analysis of diverse target materials. The method is based on training several regression models on sets of targets with limited composition ranges and then “blending” these “sub-models” into a single final result. Tests of the sub-model method show improvement in test set root mean squared error of prediction (RMSEP) for almost all cases. Lastly, the sub-model method, using partial least squares regression (PLS), is being used as part of the current ChemCam quantitative calibration, but the sub-model method is applicable to any multivariate regression method and may yield similar improvements.

47 OTHER INSTRUMENTATION↗

Influence of Donor Polymer on the Molecular Ordering of Small Molecular Acceptors in Nonfullerene Polymer Solar Cells

Abstract Nonfullerene polymer solar cells (PSCs) based on polymer donors and nonfullerene small molecular acceptors (SMAs) have recently attracted considerable attention. Although much of the progress is driven by the development of novel SMAs, the donor polymer also plays an important role in achieving efficient nonfullerene PSCs. However, it is far from clear how the polymer donor choice influences the morphology and performance of the SMAs and the nonfullerene blends. In addition, it is challenging to carry out quantitative analysis of the morphology of polymer:SMA blends, due to the low material contrast and overlapping scattering features of the π–π stacking between the two organic components. Here, a series of nonfullerene blends is studied based on ITIC‐Th blended with five different donor polymers. Through quantitative morphology analysis, the (010) coherence length of the SMA is characterized and a positive correlation between the coherence length of the SMA and the device fill factor (FF) is established. The study reveals that the donor polymer can significantly change the molecular ordering of the SMA and thus improve the electron mobility and domain purity of the blend, which has an overall positive effect that leads to the enhanced device FF for nonfullerene PSCs.

Hu, Huawei↗

Copper Sensing in Alkaline Electrolyte Using Anodic Stripping Voltammetry by Means of a Lead Mediator

Anodic stripping voltammetry (ASV) is an analysis technique that permits the selective and quantitative analysis of metal ion species in solution. It is most commonly applied in neutral to acidic electrolyte largely due to inherent metal ion solubility. Bismuth (Bi) is a common film used for ASV due to its good sensitivity, overall stability and insensitivity to O2. ASV, utilizing a Bi film, along with cadmium (Cd) and lead (Pb) as the plating mediators, has recently been adapted to determine zinc (Zn) concentrations in highly alkaline environments (30 % NaOH or 35 % M KOH). Successful analysis of Zn in alkaline relies on the ability of the hydroxide to form soluble metal anion species, such as Bi(OH) 4 – and Zn(OH) 4 2– . Here, we look to extend this technique to detect and quantify copper (Cu) ions in these highly basic electrolytes. However, in general, the use of ASV to detect and quantify Cu ion concentrations is notoriously difficult as the Cu stripping peak potential overlays with that of Bi from the common Bi film electrode. Here, an ASV method for determining Cu concentration in alkaline solutions is developed utilizing Pb as a deposition mediator. As such, it was found that when analyzing Cu solutions in the presence of Pb, the stripping voltammetry curves present separate and defined Cu stripping peaks. Different analyzes were made to find the best stripping voltammetry performance conditions. As such, an accumulation time of 5 minutes, an accumulation potential of ≤–1.45 V vs. Hg/HgO, and a concentration of 35 wt% KOH were determined to be the conditions that presented the best ASV results. Utilizing these conditions, calibration curves in the presence of 5.0 ppm Pb showed the best linear stripping signal correlation with an r-squared value of 0.991 and a limit of detection (LOD) of 0.67 ppm. Lastly, these results give way to evaluating Cu concentrations using ASV in aqueous alkaline solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Closure of Fracture Due to Cover Stress Re-establishment After Coal Mining

In situ measurements of deformations, stresses, and closure of fractures, affecting water inflow following coal mining, are challenging due to the inaccessibility of fractured rock. Here, the authors studied the closure process of the fractured rock mass with the cover stress re-establishment based on a theoretical analysis and a scale model testing. A quantitative analysis is used to study the fracture distribution in the fractured zone. A function to describe a fracture aperture distribution in the fractured zone is proposed, which takes into account the curvature and thickness of the fractured rock. The theoretical analysis and a scale model testing both indicate that the cover stress re-establishment with mining distance increasing and the relationship between the fracture closure and cover stress re-establishment both satisfy a logarithmic function. The scale model test also shows the following features: (1) the fracture ratio (which is the fracture area divided by the total area of fracture and intact rock with a unit width in the vertical or horizontal direction) in the lower part of the fractured rock mass is greater than that in the upper part; (2) the initially fast decreased of fracture ratios is then followed by a slower decrease during the cover stress re-establishment process; (3) in the upper part of the rock mass, the vertical directional fractures with small apertures are being closed with cover stress re-establishment, which indicates an increase in the water resistance reducing the seepage from these parts of the fractured zone. This study improves the general understanding of the fracture closure process and cover stress re-establishment in the fractured rock mass after coal mining ceased, and provides a theoretical basis for water resource protection in case of underground coal mining.

58 GEOSCIENCES↗

Microprobe Analysis of Pu-Ga Standards

In order to obtain quantitative analysis using an Electron Scanning Microprobe it is essential to have a standard of known composition. Most elemental and multi-elemental standards can be easily obtained from places like Elemental Scientific or other standards organizations that are NIST (National Institute of Standards and Technology) traceable. It is, however, more challenging to find standards for plutonium. Past work performed in our group has typically involved using the plutonium sample to be analysed as its own standard as long as all other known components of the sample have standards to be compared to [1,2,3]. Finally, this method works well enough, but this experiment was performed in order to develop a more reliable standard for plutonium using five samples of known chemistry of a plutonium gallium mix that could then be used as the main plutonium and gallium standards for future experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Adhesion, friction, wear, and lubrication research by modern surface science techniques.

The field of surface science has undergone intense revitalization with the introduction of low-energy electron diffraction, Auger electron spectroscopy, ellipsometry, and other surface analytical techniques which have been sophisticated within the last decade. These developments have permitted submono- and monolayer structure analysis as well as chemical identification and quantitative analysis. The application of a number of these techniques to the solution of problems in the fields of friction, lubrication, and wear are examined in detail for the particular case of iron; and in general to illustrate how the accumulation of pure data will contribute toward the establishment of physiochemical concepts which are required to understand the mechanisms that are operational in friction systems. In the case of iron, LEED, Auger and microcontact studies have established that hydrogen and light-saturated organic vapors do not establish interfaces which prevent iron from welding, whereas oxygen and some oxygen and sulfur compounds do reduce welding as well as the coefficient of friction. Interpretation of these data suggests a mechanism of sulfur interaction in lubricating systems.

Keller, D. V., Jr.↗