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Distribution coefficients of Eu and Sr for plagioclase-liquid and clinopyroxene-liquid equilibria in oceanic ridge basalt - An experimental study
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Growth rate dependence of the interface distribution coefficient in the system Ge-Ga
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Gasoline-water distribution coefficients of xylidines
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Gasoline-water distribution coefficients of 27 aromatic amines
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Distribution Coefficients on Protein Impurities in Ferritin and Lysozyme Crystals. Self-Purification in Microgravity
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EGBTER: Capturing Degree Distribution, Clustering Coefficients, and Community Structure in a Single Random Graph Model
Random graph models are important constructs for data analytic applications as well as pure mathematical developments, as they provide capabilities for network synthesis and principled analysis. Several models have been developed with the aim of faithfully preserving important graph metrics and substructures. With the goal of capturing degree distribution, clustering coefficient, and communities in a single random graph model, we propose a new model to address shortcomings in a progression of network modeling capabilities. The Block Two-Level Erdos-Rényi (BTER) model of Seshadhri et aI., designed to allow prescription of expected degree and clustering coefficient distributions, neglects community modeling, while the Generalized BTER (GBTER) model of Bridges et aI., designed to add community modeling capabilities to BTER, struggles to faithfully represent all three characteristics simultaneously. In this work, we fit BTER and two GBTER configurations to several real-world networks and compare the results with that of our new model, the Extended GBTER (EGBTER) model. Our results support that EBGTER adds a community-modeling flexibility to BTER, while retaining a satisfactory level of accuracy in terms of degree and clustering coefficient. Our insights and empirical testing of previous models as well as the new model are novel contributions to the literature.
Partitioning of Ni/2+/ between basaltic and synthetic melts and olivines An experimental study
Olivine/liquid distribution coefficients for Ni in basaltic and simple synthetic melts are found in the 1400-1070 C temperature range. The results suggest that: (1) the Ni distribution coefficients and NiO activity coefficients are strongly temperature dependent, (2) the Ni distribution coefficients are functions of melt composition and structure at a constant temperature although the dependence is small for most basaltic magmas, (3) differences in melt composition do not significantly influence generally 'basaltic' melts, (4) the Ni distribution coefficients may be used as geothermometers to predict the olivine crystallization temperatures of basaltic magmas to within plus or minus 50 C, (5) the Ni distribution coefficients are greater than one at all natural magmatic temperatures, and (6) the Ni distribution coefficients do not significantly vary as functions of the Ni content of the melt to at least one mole percent.
Experimental and theoretical study of the formation of the 2AB, 3AB, and 9A meteorite chemical groups from the parent liquid
Segregation of solute elements was measured in plane front solidified Fe-Ni-S-P alloys of meteoritic composition containing Ir, Ge and/or Cu. The Ni and P contents reach maximum values of 10.5 wt% and 1.1 wt%, respectively, in austenite (taenite) at the end of primary solidification. Distribution coefficients of Ni, P, Ir, Ge and Cu were determined from the solidified alloys. The distribution coefficients vary with the S and P content of the liquid. In addition the distribution coefficients of Ni, P, Ir and Ge increase and the distribution coefficient of Cu decreases with the S to P ratio. Equations that describe the concentration dependence of the distribution coefficients were developed and used to calculate solute redistribution during the solidification of IIAB, IIIAB and IVA parent bodies. The calculated P vs Ni, Ir vs Ni and Ge vs Ni trends are in good agreement with the observed meteoritic data. Since the calculated value of the maximum solid solubility of P agrees well with the observed maximum P composition data for IIAB and IIIAB irons, it is concluded that complete crystallization of the parent liquids of IIAB and IIIAB had occurred before any fragmentation of the solidified body.
Machine Learning-Driven Solvent Screening for Biobased 2,3-Butanediol Extraction
Biobased 2,3-butanediol (2,3-BDO) is a valuable biomass-derived chemical due to its versatility in being transformed into a wide variety of products. However, the separation and purification of 2,3-BDO from fermentation broth remain a significant challenge owing to its high boiling point and hydrophilic nature. Herein, we developed a machine learning (ML)-based screening workflow that uses molecular calculations as training data and requires only a small number of experimental measurements for validation to identify alternative solvent candidates for the liquid–liquid extraction (LLE) of 2,3-BDO from aqueous solution. In particular, 130 density functional theory (DFT) calculations with the implicit solvation method not only built a correlation between the computational partition coefficient and the experimental distribution coefficient of 2,3-BDO but also parameterized an Extra-Trees ML model to screen the distribution coefficient for a wider range of 6717 organic solvents. The experimental measurements of only 24 solvents were needed to validate the computational results. A list of 50 prioritized solvents was proposed for 2,3-BDO LLE, and seven additional experimental measurements were conducted to further verify our selected solvents. The impact of the extraction temperature and solvent-to-feed ratio was also investigated for selected solvents in experiments. Furthermore, this work suggested alternative solvents for 2,3-BDO LLE and proposed a versatile workflow that requires fewer experiments and can be applied to a broader range of LLE studies.
A newly proposed isotherm model to predict Cs exchange with crystalline silicotitanate in tank waste simulants
The Zheng Anthony Miller (ZAM) computer model, a multicomponent ion exchange model used to predict the exchange of Group I metals onto crystalline silicotitanate (CST), has historically been used to predict Cs distribution coefficients from Hanford and Savannah River Site (SRS) tank waste simulants. Comparison of experimentally determined Cs distribution coefficients from tank waste simulants with ZAM isotherm model predictions indicate overprediction of Cs and K distribution coefficients for simple and complex simulants with the engineered form of CST. Additionally, recent changes in chemical composition/manufacturing of IONSIV TM R9140-B have resulted in increased Cs capacity from high-salt, highly alkaline solutions. Here, this work served to assess different isotherm models and refine equilibrium parameters to develop a model that can be applied to Hanford and SRS tank waste Cs removal efforts. Toward this goal, the Campbell Westesen Peterson (CWP) model was developed. This model utilized the experimentally determined Cs capacity, and simplified ZAM equilibria expressions to include only the binary substitution of Cs + or K + on the Na + sites. Equilibrium constants for these equations were refined using experimentally determined distribution coefficients. Overall, the CWP model significantly improved our ability to predict both Cs and K loading capacity from complex matrices.
Fractional crystallization of iron meteorites, an experimental study
Measurements of the distribution coefficients of various elements (Ni, Co, P, Pt, Ir, Ge, Cr, and Au) between solid and liquid phases were made for FeNi alloys. A high thermal gradient crystal growing furnace was employed in order to promote plane front solidification, rapid mixing in the liquid and a minimum of diffusion in the solid. Eight measurements of the nickel distribution coefficient gave an average value of 0.91 plus or minus 0.03 and this value was independent of the Ni concentration in the range 5.5 to 8.75 wt. % Ni. Equilibrium distribution coefficients were also calculated by correcting for the diffusion boundary layer present in the liquid. These values are within 20% of the measured distribution coefficient values. Except for Co and Ni, all the measured distribution coefficient values are closer to 1.0 than those calculated by Scott (1972) for the IIIAB irons. Using the experimental values and the calculated equilibrium values for ternary additions to FeNi melts, it appears that fractional crystallization processes will not explain the observed chemical variations in the major iron meteorite groups. Alternative explanations are suggested which also recognize the fact that cooling rates vary widely in several chemical groups.
Assessment of Airfoil Property Sensitivity on Wind Turbine Extreme and Fatigue Loads: Preprint
Wind turbines are designed using a set of simulations to determine the structural loads that the turbine could experience. These structural loads can be significant influenced by physical turbine parameters. While significant research and effort has been put into measuring and defining such parameters, limited work has been done to quantify the sensitivity of structural loads to uncertainty in the physical turbine parameters. This paper therefore seeks to assess the sensitivity of different turbine aerodynamic parameters on the resulting ultimate and fatigue loads of the turbine during normal operational conditions. Eighteen different turbine parameters are screened using an Elementary Effects approach with radial points. The results show a high sensitivity of the loads to the blade twist and lift coefficient distributions. To a lesser extent, other turbine parameters that drive loads include the maximum lift coefficient location, blade chord length, and drag coefficient distributions.
Thermodynamics of Boron Removal from Silicon Using CaO-MgO-Al{sub 2}O{sub 3}-SiO{sub 2} Slags
Slag refining is one of few metallurgical methods for removal of boron from silicon. It is important to know the thermodynamic properties of boron in slags to understand the refining process. The relation of the distribution coefficient of boron to the activity of silica, partial pressure of oxygen, and capacity of slags for boron oxide was investigated. The link between these parameters explains why the distribution coefficient of boron does not change much with changing slag composition. In addition, the thermodynamic properties of dilute boron oxide in CaO-MgO-Al{sub 2}O{sub 3}-SiO{sub 2} slags was determined. The ratio of the activity coefficient of boron oxide and silica was found to be the most important parameter for understanding changes in the distribution coefficient of boron for different slags. Finally, the relation between the activity coefficient of boron oxide and slag structure was investigated. It was found that the structure can explain how the distribution coefficient of boron changes depending on slag composition.
Measured pressure distributions, aerodynamic coefficients and shock shapes on blunt bodies at incidence in hypersonic air and CF4
Pressure distributions, aerodynamic coefficients, and shock shapes were measured on blunt bodies of revolution in Mach 6 CF4 and in Mach 6 and Mach 10 air. The angle of attack was varied from 0 deg to 20 deg in 4 deg increments. Configurations tested were a hyperboloid with an asymptotic angle of 45 deg, a sonic-corner paraboloid, a paraboloid with an angle of 27.6 deg at the base, a Viking aeroshell generated in a generalized orthogonal coordinate system, and a family of cones having a 45 deg half-angle with spherical, flattened, concave, and cusp nose shapes. Real-gas effects were simulated for the hperboloid and paraboloid models at Mach 6 by testing at a normal-shock density ratio of 5.3 in air and 12 CF4. Predictions from simple theories and numerical flow field programs are compared with measurement. It is anticipated that the data presented in this report will be useful for verification of analytical methods for predicting hypersonic flow fields about blunt bodies at incidence.
Crystal/liquid partitioning of REE in basaltic systems Extreme fractionation of REE in olivine
The calculation of partial coefficients for Nd, Sm, Gd, and Yb between olivine and synthetic basaltic melts using the percent level doping technique and microprobe analytical techniques is examined. The experimental and analytical procedures are described. The relationship between rare earth elements (REEs) concentrations and crystal margins caused by Rees X-rays from surrounding glass is discussed. Average olivine/liquid distribution coefficients for Nd, Sm, Gd, and Yb for mare and highlands basaltic melts are presented. The data reveal that the distribution coefficients for light REEs are lower than those obtained in previous studies, and the slope of the olivine/liquid distribution coefficient pattern is steeper; potential sources of error in the previous and present studies which could explain the differences in distribution coefficients and slope are investigated.
Heat Transfer and Flow on the First Stage Blade Tip of a Power Generation Gas Turbine: Experimental Results - Part 1
A combined computational and experimental study has been performed to investigate the detailed distribution of convective heat transfer coefficients on the first stage blade tip surface for a geometry typical of large power generation turbines(>100MW). This paper is concerned with the design and execution of the experimental portion of the study. A stationary blade cascade experiment has been run consisting of three airfoils, the center airfoil having a variable tip gap clearance. The airfoil models the aerodynamic tip section of a high pressure turbine blade with inlet Mach number of 0.30, exit Mach number of 0.75, pressure ratio of 1.45, exit Reynolds number based on axial chord of 2.57 x 10(exp 6), and total turning of about 110 degrees. A hue detection based liquid crystal method is used to obtain the detailed heat transfer coefficient distribution on the blade tip surface for flat, smooth tip surfaces with both sharp and rounded edges. The cascade inlet turbulence intensity level took on values of either 5% or 9%. The cascade also models the casing recess in the shroud surface ahead of the blade. Experimental results are shown for the pressure distribution measurements on the airfoil near the tip gap, on the blade tip surface, and on the opposite shroud surface. Tip surface heat transfer coefficient distributions are shown for sharp-edge and rounded-edge tip geometries at each of the inlet turbulence intensity levels.