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At least 73 records · Page 4

Synthesis, physical and chemical properties, and potential applications of graphite fluoride fibers

Graphite fluoride fibers can be produced by fluorinating pristine or intercalated graphite fibers. The higher the degree of graphitization of the fibers, the higher the temperature needed to reach the same degree of fluorination. Pitched based fibers were fluorinated to flourine-to-carbon atom rations between 0 and 1. The graphite fluoride fibers with a fluorine-to-carbon atom ration near 1 have extensive visible structural damage. On the other hand, fluorination of fibers pretreated with bromine or fluorine and bromine result in fibers with a fluorine-to-carbon atom ratio nearly equal to 0.5 with no visible structural damage. The electrical resistivity of the fibers is dependent upon the fluorine to carbon atom ratio and ranged from .01 to 10 to the 11th ohm/cm. The thermal conductivity of these fibers ranged from 5 to 73 W/m-k, which is much larger than the thermal conductivity of glass, which is the regular filler in epoxy composites. If graphite fluoride fibers are used as a filler in epoxy or PTFE, the resulting composite may be a high thermal conductivity material with an electrical resistivity in either the insulator or semiconductor range. The electrically insulating product may provide heat transfer with lower temperature gradients than many current electrical insulators. Potential applications are presented.

Hung, Ching-Cheh↗

Effect of an oxygen plasma on the physical and chemical properties of several fluids for the Liquid Droplet Radiator

The Liquid Droplet Radiator is one of several radiator systems currently under investigation by NASA Lewis Research Center. It involves the direct exposure of the radiator working fluid to the space environment. An area of concern is the potential harmful effects of the low-Earth-orbit atomic oxygen environment on the radiator working fluid. To address this issue, seven candidate fluids were exposed to an oxygen plasma environment in a laboratory plasma asher. The fluids studied included Dow Corning 705 Diffusion Pump Fluid, polymethylphenylsiloxane and polydimethylsiloxane, both of which are experimental fluids made by Dow Corning, Fomblin Z25, made by Montedison, and three fluids from the Krytox family of fluids, Krytox 143AB, 1502, and 16256, which are made by DuPont. The fluids were characterized by noting changes in visual appearance, physical state, mass, and infrared spectra. Of the fluids tested, the Fomblin and the three Krytoxes were the least affected by the oxygen plasma. The only effect noted was a change in mass, which was most likely due to an oxygen-catalyzed depolymerization of the fluid molecule.

Gulino, Daniel A.↗

Mineralogical and chemical properties of the lunar regolith

The composition of lunar regolith and its attendant properties are discussed. Tables are provided listing lunar minerals, the abundance of plagioclase feldspar, pyroxene, olivine, and ilmenite in lunar materials, typical compositions of common lunar minerals, and cumulative grain-size distribution for a large number of lunar soils. Also provided are charts on the chemistry of breccias, the chemistry of lunar glass, and the comparative chemistry of surface soils for the Apollo sites. Lunar agglutinates, constructional particles made of lithic, mineral, and glass fragments welded together by a glassy matrix containing extremely fine-grained metallic iron and formed by micrometeoric impacts at the lunar surface, are discussed. Crystalline, igneous rock fragments, breccias, and lunar glass are examined. Volatiles implanted in lunar materials and regolith maturity are also addressed.

Mckay, David S.↗

Physical and chemical properties of some new perfluoropolyalkylether lubricants prepared by direct fluorination

A series of perfluoropolyalkylether (PFPAE) fluids was synthesized by direct fluorination. Viscosity-temperature properties, oxidation stabilities, oxidation-corrosion properties, bulk modulus, lubricity, surface tension and density were measured. It was shown that as the carbon to oxygen ratio in the polymer repeating unit decreases, the viscometric properties improve, the fluids may become poorer boundary lubricants, the bulk modulus increases, the surface tension increases and the fluid density increases. The presence of difluoromethylene oxide units in the polymer does not significantly lower the oxidation and oxidation-corrosion stabilities as long as the difluoromethylene oxide units are separated by other units.

Jones, W. R., Jr.↗

Long Term Effects of Poultry Litter on Soil Physical and Chemical Properties in Cotton Plots

Poultry litter and compost can alter the moisture holding capacity of a soil. These organic materials can also increase the nutrient status of a soil during the decomposition process by microbial actions. The objective of this study was to evaluate the effect of poultry litter and compost on the dielectric constant and moisture holding capacity of soil. The Delta-T theta-probe was used to measure volumetric soil water content and the apparent dielectric constant of the upper 6-cm of the soil profile. Soil texture, pH, and organic matter were also determined for each plot. Results of these analyses indicated that the pH of the soil ranged from 6.4 to 7.7 and the volumetric soil moisture content ranged from 0.06 to 0.18 cu m/cu m for the upper 6-cm of the soil profile. The effect of poultry litter and compost on soil properties resulted in an increase in the volumetric moisture content and dielectric constant of the soil due to the improvement of the soil structure.

Surrency, J.↗

Effect of Fresh Poultry Litter and Compost on Soil Physical and Chemical Properties

Application of poultry litter and compost as a substitute for fertilizer not only uses unwanted waste and decreases expenditures for commercial fertilizer, it adds nutrients to soil for plant uptake. The properties of soil affected by poultry litter were analyzed to determine the positive and negative aspects of using this substitute fertilizer. This study focused on changes associated with saturated hydraulic conductivity, bulk density, nitrate concentrations, and pH after application of varying concentrations of poultry litter and compost. Soil samples from Tennessee Valley Substation in Alabama were analyzed in a laboratory at Alabama A&M University. As a result of the application of fresh poultry litter and compost, we found that the saturated hydraulic conductivity increased and the bulk density decreased, while the pH was generally not affected. Using poultry litter and compost as an alternative commercial fertilizers could be adapted by the farming community to protect the sustainability of our environment. Unwanted waste is used productively and soil is enriched for farming.

Carr, Stacy↗

Insights into the Physical-Chemical Properties of a CO2-Responsive Fracturing Fluid

Here we determine the phase behavior of StimuFrac, a CO2 responsive fracturing fluid, under geothermal wellbore conditions. StimuFrac is an aqueous poly(allylamine) fluid that crosslinks in the presence of CO2. StimuFrac significantly reduces the net pressure required to induce fractures, relative to other fracture fluids, and has potential to reduce water use. However, the phase behavior and equations of state to describe StimuFrac’s phase behavior remain unavailable. Here we determine the density and molar volume of the fluid as a function of geothermal relevant temperatures, pressures, and weight fractions of StimuFrac added. In general, experiments find that StimuFrac’s density decreases as temperature and pressure increase. Using these results, equations of saturated state and phase diagrams for different polymer concentrations are reported. These results are critical inputs for planned numerical simulation efforts.

Pease, Leonard F.↗

Hydrophobicity of Cryogenic Fluids for Fuel Transfer in Space Applicaitons

Introduction Hydrophobicity is the tendency of a fluid to repel another material or fluid. Hydrophobiciy can be measured through the wetting angle of the fluid on the surface of the other material. The greater the wetting angle, the more hydrophobic the surface is against the fluid. Hydrophobicity properties can be caused by one of two means, either through physical properties or chemical properties [\citenum{NARBUTT2020121}]. Physical hydrophobicity due to the surface of a solid creating surface roughness/patterning, minimizing the contact area between the fluid and the surface. This can be observed throughout nature, such as the surface of lotus leaves or butterfly wings. This physical property can be induced on a variety of surfaces, namely through laser etching, allowing a surface to be finely lineated to imitate these natural surfaces while controlling quantity, depth, and patterns of the etching on the surface [\citenum{10.1063/1.4905616}]. Physical hydrophobicity is therefore dependent on several variables, including the surface that the fluid is on and properties of the fluid itself, such as density and surface tension, both of which are dependent on temperature and/or pressure. Chemical hydrophobicity [\citenum{MadeiraHydrophobocicicici}] is due to the inherent chemical properties of the materials being used. This is most commonly due to the molecular structures changing the polarity of the materials. Depending on a nonpolar material will repel a polar material, proving to be hydrophobic, conversely if the polarity of the materials is the same (polar – polar, nonpolar – nonpolar), they will attract each other. Cryogenics refers to the behavior of materials at very low temperatures (<\ang{-100} C) [\citenum{ZOHURI20181}]. In space applications many things are inherently cryogenic, therefore this is an important field. There has been little research in how hydrophobicity changes at cryogenic temperatures. Cryogenic fluids are commonly used as fuels for spacecraft, therefore, integrating a hydrophobic surface can increase the transfer rate of the fuel. To test this, several experiments were set up to determine the hydrophobic properties of cryogenic fluids, including nitrogen (LN2), argon (LAr), oxygen (LOx), hydrogen (LH2), and methane (CH4), at cryogenic temperatures. Etched Wafer Testing A silicon wafer cut from a crystal of silicon [100] was used to model the potential hydrophobicity of various cryogenic fluids. Silicon [100] references to the crystallographic orientation of the silicon crystals in the wafer. These wafers were then laser etched to create a surface that is more likely to be hydrophobic. To test the hydrophobicity of the wafers at cryogenic temperatures, the temperatures of the wafers must be reduced to the same temperature as the cryogenic fluid being used to prevent rapid boil-off. To achieve this a double-walled vacuum insulated glass chamber was utilized. The chamber is open, with a double-walled glass that can be placed in a vacuum to remove condensation from the outside to allow easier viewing of the experiment. Furthermore, the silicon wafer's temperature must be lowered to the temperature of LN2, as well as maintain the temperature throughout the experiment. To achieve this a piece of 6061 aluminum was used, creating a stand-off for the wafer and it would allow for the insulation of the temperature of the wafers. The container was then filled with LN2 and once the LN2 stabilized the vaporization and the levels of LN2 dropped under the height of the wafer, the wafer was then allowed to air dry. Once the wafer was dry from the LN2, drops of LN2 were placed on the surface of the wafer for observation. During the first trial, the LN2 that was dropped on the surface displayed nonhydrophobic behaviors, spreading out along the surface, with a minimal wetting angle (too small to be measured). This process was repeated for liquid argon. Further testing with other cryogenic liquids will require different testing apparatuses due to being more volatile. Furthermore, several papers [\citenum{voltvolt7}] have suggested that running a voltage can induce a hydrophobic effect throughout a surface, further testing will include a voltage (constant and oscillating) to determine if voltage influences inducing hydrophobicity at cryogenic temperatures. Chemical Testing Coating the interior walls of the fuel tanks and fuel lines can successfully create a hydrophobic surface. The inherent problem is finding a material that can be used to coat the surface, furthermore, at these temperatures, the coating will remain solid, which could pose issues in maintaining the hydrophobic properties. To test this water (polar) is hydrophobic against oils and fats (nonpolar), therefore the same experiment as the etched wafer testing was conducted to determine if the hydrophobic properties will persist as the nonpolar material remains solid and the polar material remains a fluid. The water remained hydrophobic, allowing testing can expand to the cryogenic fluids. However, another hurdle is faced in finding a chemically opposite material to the cryogenic fluids being tested. As many of the cryogenic fluids being tested are diatomic, they are inherently nonpolar, therefore, the material used for the hydrophobic coating must be polar. Polar greases and lubricants are difficult to come by, however, lithium stearate, appears to be a potential candidate for creating a coated hydrophobic surface for cryogenic fluids at cryogenic temperatures.

Cryogenics↗

Comparison of Machine Learning Approaches for Prediction of the Equivalent Alkane Carbon Number for Microemulsions Based on Molecular Properties

The chemical properties of oils are vital in the design of microemulsion systems. The hydrophilic–lipophilic difference equation used to predict microemulsions’ phase behavior expresses the oils’ physiochemical properties as the equivalent alkane carbon number (EACN). The experimental determination of EACN requires knowledge of the temperature dependence of the microemulsion system and the effects of different surfactant concentrations. Thus, the experimental determination is time-intensive and tedious, requiring days to months for proper separations. Furthermore, the experiments require high purity of chemicals because microemulsions are sensitive to impurities. Our work focuses on the quick and reliable predictions of the EACN with machine learning (ML) models. Due to the immaturity of ML chemical predictions, we compare three graph neural networks (GNNs) and a gradient-boosted tree algorithm, known as XGBoost. The GNNs use the molecular structures represented as simplified molecular-input line-entry system (SMILES) codes for the initial input, which allows us to assess whether geometry optimization is necessary for reliable results. The XGBoost model also begins with the SMILES representations of the molecules but uses molecular descriptors instead of geometry optimizations. As a result, the best model tested (crystal graph convolutional neural network with Merck molecular force field-94) has an error of 1.15 EACN units of the true EACN for unknown data with the errors skewed toward zero and an R² score of 0.9

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of process conditions and chemical composition on the microstructure and properties of chemically vapor deposited SiC, Si, ZnSe, ZnS and ZnS(x)Se(1-x)

Subatmospheric pressure CVD processes have been developed to produce theoretically dense, highly pure, void-free and large area bulk materials, SiC, Si, ZnSe, ZnS and ZnS(x)Se(1-x). These materials are used for optical elements, such as mirrors, lenses and windows, over a wide spectral range from the VUV to the IR. We discuss the effect of CVD process conditions on the microstructure and properties of these materials, with emphasis on optical performance. In addition, we discuss the effect of chemical composition on the properties of the composite material ZnS(x)Se(1-x). We first present a general overview of the bulk CVD process and the relationship between process conditions, such as temperature, pressure, reactant gas concentration and growth rate, and the microstructure, morphology and properties of CVD-grown materials. Then we discuss specific results for CVD-grown SiC, Si, ZnSe, ZnS and ZnS(x)Se(1-x).

Pickering, Michael A.↗

Variability in Modelled Airborne Dust Mineralogy Derived from Global Soil Composition Uncertainties

Dust aerosols consist on a variety of minerals with different physic and chemical properties. As such, they interact with short and long wave radiation, potentially form clouds, act as nutrients modulating biogeochemical cycles, or influence atmospheric chemistry, differently. Most current state-of-the-art Earth System Models (ESMs) neglect the complexity in dust composition, mainly due to computational constraints, but also to the existing uncertainties in the size resolved composition of parent soils, the resulting distribution of minerals in airborne dust, and the scarcity of observations to constrain them. Within this work, we assess the variability of global dust composition due to uncertainties in the characterization of the parent soil mineralogy. To that end, we consider two available global soil mineralogy atlases, developed by Claquin et al. (1999) –C1999- and Journet et al. (2014) –J2014-, which represent respectively 8 and 12 relevant minerals for climate (namely: illite, smectite/montmorillonite, kaolinite, calcite, gypsum, hematite, quartz, and feldspars in C1999, and those plus chlorite, vermiculite, goethite, and mica in J2014). Thanks to a recently developed feature of the MONARCH atmospheric-chemistry model, we are able to explicitly resolve the minerals’ atmospheric cycle. Therefore, we define two global experiments to assess changes on airborne dust composition attributed to the soil mineralogy assumptions and provide a measure of their variability. We also perform a preliminary evaluation of the global mineralogy results against available observations of mineral fractions in surface dust concentration. Our results will inform the climate modelling community about the potential variability in dust composition, an aspect that will gain relevance as ESMs continue growing in complexity and new processes to better characterize aerosols’ forcing or biogeochemical cycles are added. Further observational constraints, such as those that will derive from the EMIT NASA mission on soil composition or the FRAGMENT experimental campaigns on airborne dust characterization, will be key in the near future to improve our understanding of the impact of dust mineralogy on fundamental climate features.

Dust aerosols↗

Molecular Properties and Chemical Transformations Near Interfaces

The properties of bulk water and aqueous solutions are known to change in the vicinity of an interface and/or in a confined environment, including the thermodynamics of ion selectivity at interfaces, transition states and pathways of chemical reactions, and nucleation events and phase growth. Here we describe joint progress in identifying unifying concepts about how air, liquid, and solid interfaces can alter molecular properties and chemical reactivity compared to bulk water and multicomponent solutions. Furthermore, we also discuss progress made in interfacial chemistry through advancements in new theory, molecular simulation, and experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Aviation-fuel property effects on combustion

The fuel chemical property influence on a gas turbine combustor was studied using 25 test fuels. Fuel physical properties were de-emphasized by using fuel injectors which produce highly-atomized, and hence rapidly vaporizing sprays. A substantial fuel spray characterization effort was conducted to allow selection of nozzles which assured that such sprays were achieved for all fuels. The fuels were specified to cover the following wide ranges of chemical properties: hydrogen, 9.1 to 15 (wt) pct; total aromatics, 0 to 100 (vol) pct; and naphthalene, 0 to 30 (vol) pct. standard fuels (e.g., Jet A, JP4), speciality products (e.g., decalin, xylene tower bottoms) and special fuel blends were included. The latter group included six, 4-component blends prepared to achieve parametric variations in fuel hydrogen, total aromatics and naphthalene contents. The principle influences of fuel chemical properties on the combustor behavior were reflected by the radiation, liner temperature, and exhaust smoke number (or equivalently, soot number density) data. Test results indicated that naphthalene content strongly influenced the radiative heat load while parametric variations in total aromatics did not.

Rosfjord, T. J.↗

Advanced biorefinery feedstock from non-recyclable municipal solid waste by mechanical preprocessing

Because of accelerated urbanization and the development of a global economy, a large quantity of municipal solid waste (MSW) has been collected and disposed of by the municipalities. Due to this drastic increase in the disposal of MSW, the need for its management is a must to preserve the environment. Currently, approximately 50% of the total MSW generated in the United States has been utilized through various recycling, combustion, and composting technologies, which means the remaining 50% is sent to landfill; this is often known as non-recyclable MSW (nMSW). As this nMSW is physically and chemically heterogenous and contains very high amounts of inorganic material, processing is required prior to using it as a biorefinery feedstock. Thus, this study focused on how mechanical preprocessing advanced the physical and chemical properties of nMSW. The physical and chemical properties were investigated in terms of particle size distribution, bulk density, ultimate and proximate analysis, and the higher heating value (HHV). The combustion properties were examined in terms of ignition temperature, peak heat release rate, and combustion efficiency. Results showed that the variability of physical and chemical properties of nMSW can be reduced by mechanical preprocessing. For example, the variability of the bulk density of the as-received nMSW was approximately 17.3% while it reduced to 5.8% when the sample size was reduced to 2 mm. Similarly, the variability of ash and HHV reduced from 49.2% to 11.0% and 13.4%–4.2%, respectively. Combustion thermograms showed that the size reduction positively improved the combustion properties. For example, 2 mm of spec sample started to ignite approximately 4 times earlier and took 6.5 folds less time to reach the peak heating rate compared to as-received nMSW. Overall, the mechanical preprocessing reduced the variability of physical and chemical properties in addition to the improvement of combustion behavior of the nMSW which is one step forward toward the biorefinery feedstock.

09 BIOMASS FUELS↗

Computing Properties Of Chemical Mixtures At Equilibrium

Scientists and engineers need data on chemical equilibrium compositions to calculate theoretical thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93 is general program that calculates chemical equilibrium compositions and properties of mixtures for any chemical system for which thermodynamic data are available. Includes thermodynamic data for more than 1,300 gaseous and condensed species and thermal-transport data for 151 gases. Written in FORTRAN 77.

Mcbride, B. J.↗