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At least 1,495 records · Page 83

Implementation of Ion Exchange Processes for Carbon Dioxide Mineralization Using Industrial Waste Streams

Sequestration of CO 2 within stable mineral carbonates (e.g., CaCO 3 ) represents an attractive emission reduction strategy because it offers a leakage-free alternative to geological storage of CO 2 in an environmentally benign form. However, the pH of aqueous streams equilibrated with gaseous streams containing CO 2 (pH < 4) are typically lower than that which is required for carbonate precipitation (pH > 8). Traditionally, alkalinity is provided by a stoichiometric reagent (e.g., NaOH) which renders these processes environmentally hazardous and economically unfeasible. This work investigates the use of regenerable ion-exchange materials to induce alkalinity in CO 2 -saturated aqueous solutions such that the pH shift required for mineralization occurs without the need for stoichiometric reagents. Na + -H + exchange isotherms (at [H + ] = 10 −8 –10 −1 M) and rates were measured for 13X and 4A zeolites and TP-207 and TP-260 organic exchange resins in batch equilibrium and fixed-bed exchange experiments, respectively. At solutions equilibrated with CO 2 at 1.0 atm (pH = 3.9), H + exchange capacities for the materials were similar (1.7–2.4 mmol H + /g material) and resulted in pH increases from 3.9 to greater than 8.0. Multi-component mixtures using Ca 2+ and Mg 2+ cations (at 10 −3 –10 −1 M) in CO 2 -saturated water were used to probe competitive ion exchange. The presence of divalent cations in solution inhibited H + exchange, reducing capacities to as low as 0.2 mmol H + /g for both resins and zeolites. Dynamic H + exchange capacities in fixed-bed ion exchange columns were similar to equilibrium values for resins (∼1.5 mmol/g) and zeolites (∼0.8 mmol/g) using inlet solutions that were equilibrated with gaseous streams of CO 2 at 1.0 atm. However, exchange kinetics were limited by intraparticle diffusion as indicated by the increased rate parameters with increasing inlet flow rates (20–160 cm 3 min −1 ). Experimental calcite precipitation from mixing the alkaline CO 3 2− -rich water solution obtained from the ion-exchange column with a simulated liquid waste stream solution achieved thermodynamic maximum yields. The results from these studies indicate that ion exchange processes can be used as an alternative to the addition of stoichiometric bases to induce alkalinity for the precipitation of CaCO 3 , thereby opening a pathway toward sustainable and economic mineralization processes.

42 ENGINEERING↗

Studies on Thorium Adsorption Characteristics upon Activated Titanium Hydroxide Prepared from Rosetta Ilmenite Concentrate

The titanium hydroxide prepared from Rosetta ilmenite concentrate has been applied for Th (IV) adsorption from its acid aqueous solutions. The prepared hydroxide is first characterized by both Fourier transform infrared (FT-IR) spectrum and thermogravimetric analysis. The relevant factors affecting the adsorption process have been studied. The obtained equilibrium data fits well with the Langmuir isotherm rather than Freundlich isotherm, while the adsorption kinetic data follow the pseudo-second order model. The different thermodynamic parameters have also been calculated and indicate that the adsorption process is spontaneous.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The alpha dynamo parameter and measurability of helicities in magnetohydrodynamic turbulence

Alpha, an important parameter in dynamo theory, is shown to be proportional to either the kinetic, current, magnetic, or velocity helicities of the fluctuating magnetic field and fluctuating velocity field. The particular helicity to which alpha is proportional depends on the assumptions used in deriving the first-order smoothed equations that describe the alpha effect. In two cases, viz., when alpha is proportional to either the magnetic helicity or velocity helicity, alpha can be determined experimentally from two-point measurements of the fluctuating fields in incompressible, homogeneous turbulence with arbitrary rotational symmetry. For the other two possibilities, alpha can be determined if the turbulence is isotropic.

Matthaeus, W. H.↗

High-resolution sodium absorption-line observations of the local interstellar medium

High-resolution observations of the sodium D1 and D2 interstellar absorption lines have been made toward 19 stars in the local ISM at distances ranging from 20 to 220 pc. A least-squares absorption line-fitting analysis is carried out on 10 of the stars that show detectable sodium. The velocity structure, velocity dispersions, and column densities of the various interstellar cloud components are derived. For the majority of stars, the best-fit dispersion parameter is about 2 km/s, corresponding to an upper limit for the kinetic temperature of the interstellar gas of about 5500 K. No sodium is detected toward stars with distances less than 42 pc, placing an upper limit 2.5 x 10 to the 18th/sq cm to the hydrogen column density in these lines of sight.

Welsh, Barry Y.↗

Growth and sporulation of Bacillus subtilis under microgravity (7-IML-1)

The experiment was aimed at measuring the growth and sporulation of Bacillus subtilis under microgravity. The hardware for the experiment consists of a culture chamber (15 ml) made from titanium and closed by a membrane permeable for gases but not for water. Two variants of this basic structure were built which fit into the standard Biorack container types 1 and 2 respectively. Growth of the bacteria will be monitored by continuously measuring the optical density with a built-in miniaturized photometer. Other parameters (viability, sporulation, fine structure, size distribution of cells and spores, growth kinetics, etc.) will be measured on the fixed samples and on those where metabolism was temporarily halted, respectively.

Mennigmann, Horst-Dieter↗

Asymptotic analysis for the burning of n-heptane droplets using a four-step reduced mechanism

A four-step reduced mechanism is obtained from a minimal chemical-kinetic description, where the effects of the elementary rates are treated as parameters in the expressions for the global rates. This mechanism is used to analyze the extinction characteristics of a single n-heptane droplet burning under quasi-steady, spherically symmetrical conditions. The reaction layer consists of a merged inner zone, on the fuel-rich side of the flame, where fuel and H atoms are consumed thereby producing H2 and CO along with H2O and CO2, and an oxygen-consumption zone, on the fuel-lean side, where H2 and CO are oxidized to produce additional H2O and CO2 along with H radicals. For the inner zone, a parameter mu is identified which describes the ratio of the thickness of a fuel-consumption layer to that of an H-recombination layer. Analytical solutions for the rate of scalar dissipation at extinction are obtained in the limiting cases of mu tending to 0 and mu tending to infinity. From the results of the analysis, extinction diameters for n-heptane droplets are estimated for different pressures and ambient oxygen concentrations.

Card, J. M.↗

High-Sensitivity Optical Techniques for Atmospheric Spectroscopy, Kinetics and Remote Sensing

A principal objective of the work supported by this Grant has been to use IntraCavity Laser Absorption Spectroscopy (ICLAS) to acquire data on weakly absorbing species of atmospheric interest that are not accessible, or cannot be determined with sufficient precision, using conventional spectroscopic instrumentation. The principal focus has been to adapt the existing instrument to carry out Kinetic studies using IntraCavity Absorption Spectroscopy (KICAS) in order to measure rate parameters for weakly absorbing, environmentally significant species. Additional related work has been carried out in collaboration with Prof. M.J. Molina's program on air pollution in the Mexico City Metropolitan Area on modeling the role of these species in atmospheric chemistry.

Source record↗

Recommended Direct Simulation Monte Carlo Collision Model Parameters for Reacting Methane Flows

While hydrocarbon combustion and gas-surface interactions have been simulated for a variety of applications in continuum solvers, such processes have been rarely investigated in Direct Simulation Monte Carlo (DSMC). Thus Variable Hard/Soft Sphere (VHS/VSS)collision parameters are not available for most molecules of interest in the decomposition of methane, a significant pyrolysis gas product and potential atmospheric species for Titan re-entries. As these properties are essential for accurate modeling of gas transport and thermochemical effects, a method must be devised to compute them for use in DSMC. In this study, the methodology outlined in Stephani et al is utilized to compute the VHS/VSS parameters by fitting the Ω(1,1)and Ω(2,2) collision integrals [1]. These collision integrals are typically computed from intermolecular potentials and are used in CFD simulations to calculate transport properties such as viscosity, thermal conductivity, and diffusion. This approach ensures consistency between micro-scale collisions and macro-scale transport properties. To produce the necessary collision integrals needed for the fitting routine, we utilize the method described by Laricchiuta et al, where collision integrals are computed based on the constituent particles’ polarizability and effective electron number [2].Preliminary computations of pure-species Ω(1,1)and Ω(2,2)collision integrals produced from the coupled approach of Stephani et al and Laricchiuta et al for methane show good agreement with those computed via available ab-initio Potential Energy Surface Computations, as seen in Figure 1. Above 300K, no more than 12% deviation is observed between the two results over the temperature range of the fitted PES data [3].Current results of this study include full collision-specificVSS transport properties for a complex-species mixture involving major byproducts of pure methane decomposition. Targeted final results will include a comprehensive list of VSS parameters relevant toDSMC simulations of Titan atmospheric entry, based on the reduced kinetic model of Savajano et al [4].

M R Gosma↗

Exclusive Measurements of the b to s gamma Transition Rate and Photon Energy Spectrum

We use 429 fb{sup -1} of e{sup +}e{sup -} collision data collected at the {Upsilon}(4S) resonance with the BABAR detector to measure the radiative transition rate of b {yields} s{gamma} with a sum of 38 exclusive final states. The inclusive branching fraction with a minimum photon energy of 1.9 GeV is found to be {Beta}({bar B} {yields} Xs{gamma}) = (3.29 {+-} 0.19 {+-} 0.48) x 10{sup -4} where the first uncertainty is statistical and the second is systematic. We also measure the first and second moments of the photon energy spectrum and extract the best fit values for the heavy-quark parameters, m{sub b} and {mu}{sub {pi}}{sup 2}, in the kinetic and shape function models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Two-Input Enzymatic Logic Gates Made Sigmoid by Modifications of the Biocatalytic Reaction Cascades

Computing based on biochemical processes is a newest rapidly developing field of unconventional information and signal processing. In this paper we present results of our research in the field of biochemical computing and summarize the obtained numerical and experimental data for implementations of the standard two-input OR and AND gates with double-sigmoid shape of the output signal. This form of response was obtained as a function of the two inputs in each of the realized biochemical systems. The enzymatic gate processes in the first system were activated with two chemical inputs and resulted in optically detected chromogen oxidation, which happens when either one or both of the inputs are present. In this case, the biochemical system is functioning as the OR gate. We demonstrate that the addition of a filtering biocatalytic process leads to a considerable reduction of the noise transmission factor and the resulting gate response has sigmoid shape in both inputs. The second system was developed for functioning as an AND gate, where the output signal was activated only by a simultaneous action of two enzymatic biomarkers. This response can be used as an indicator of liver damage, but only if both of these of the inputs are present at their elevated, pathophysiological values of concentrations. A kinetic numerical model was developed and used to estimate the range of parameters for which the experimentally realized logic gate is close to optimal. We also analyzed the system to evaluate its noise-handling properties.

binary logic↗

Investigating Radiation-Induced Actinide Species in Solution

Used nuclear fuel (UNF) separation techniques that strive to separate radiotoxic americium (Am) from trivalent lanthanide fission products through oxidation state control have increased research efforts surrounding Am(V) and Am(VI). However, equivalent knowledge of the tetravalent state, Am(IV), has remained elusive, particularly in conditions more representative of UNF reprocessing, i.e., in concentrated nitric acid (HNO3). With this in mind, we have used electron pulse radiolysis to study the radiation-induced redox reaction of Am(III) with the oxidizing nitrate radical (NO3?) in 6 M HNO3: Am(III) + NO3? ? Am(IV) + NO3? . These experiments enabled us to observe the growth and decay of Am(IV) in a concentrated acidic solution for the first time. The transient Am(IV) species was found to have a lifetime of ~16 µs?sufficiently long-lived to play a critical mechanistic role in UNF reprocessing systems. Additionally, we performed the first-ever temperature-dependent kinetics study of an actinide element, elucidating unprecedented Arrhenius and Eyring activation parameters for the reaction of Am(III) with NO3?. This new knowledge provides much-needed molecular-level insights into the radiation-induced behavior of Am.

actinide↗

Understanding the Role of 𝛼 Particles in Oblique Heliospheric Shock Oscillations

Recent observations by DSCOVR provide high temporal resolution (50 samples per second) magnetic vector field data that allows investigating the details of oblique heliospheric shock oscillations. It was found that some of these shocks exhibit magnetic oscillations, both downstream and upstream of the shock front. The DSCOVR/MAG magnetic field data are supplemented by an extensive database of low Mach number (M < 3) low‐β (<1) shock data observed by Wind albeit with lower temporal resolution. Motivated by the observations, we use the 2.5D hybrid model of the oblique shocks with α particles in addition to kinetic protons and electron fluid. We model the properties of the oblique shocks for a number of typical parameters found in observations and study the effects of the shock parameters and the relative α particle abundances on the properties of the shock magnetic field, density, and velocity oscillations. We find the α particles “surf” on the shock front and produce a wake of density oscillations. We examine the details of the phase space of the ions as well as the ion velocity distribution functions in various parts of the shock and study their nonthermal properties. We determine the effects of the α particle kinetic properties and abundances on the structure and dynamics of the shock downstream oscillations for a range of parameters relevant to low Mach number low‐β heliospheric shocks.

Ofman, L.↗

Co-adsorption of I{sub 2} and H{sub 2}O on Ag{sup 0}Z and Kinetics of Iodine Silver Reaction

Co-adsorption of iodine and water by reduced silver-exchanged mordenite (Ag{sup 0}Z) is studied to support the development of multi-component adsorption models for the separation and recovery of radio isotopic gases in off-gas streams in nuclear fuel reprocessing. Single-component adsorption equilibrium data of iodine and water were obtained to determine the saturation capacity and evaluate the parameters of the generalized statistical thermodynamic adsorption (GSTA) model being developed for modeling of co-adsorption. Co-adsorption data acquisition is in progress for model validation. Kinetic data were obtained to determine the intra-particle mass transfer and reaction parameters for the adsorption models. In addition, work is in progress to obtain data of the iodine-silver reaction at various conditions to study the reaction kinetics, which will provide insight to the chemisorption process of iodine on Ag{sup 0}Z. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The Fundamental Creep Behavior Model of Gr.91 Alloy by ICME Approach (Final Report)

The current project mainly focused on the fundamental creep cracking mechanism of the Grade 91 system during the operation conditions in the advanced technologies FE power plants and build the link among Composition-Processing Parameters-Phase Stability-Microstructure-Creep Resistance. A model based on computational thermodynamics and diffusion kinetics will be developed to provide guidance on how to improve the creep resistance of the alloy system. The PI mainly investigate the Gr.91 base alloy and weldment with the Integrated Computational Materials Engineering (ICME) approach. The long-term goal of the proposed program is to develop a model for creep and fatigue resistant alloys with different elemental systems, compositions, and processing parameters of weldment and heat-treatment. In addition, new creep and fatigue resistant alloys are to be designed based on the predictions from the model. The computational as well as experimental results include three sections: 1) The compositional optimization and secondary phases evaluation regarding the creep resistance in Grade 91 steel through the CALPHAD approach. In this section, the formation of the critical secondary phases, M23C6, MX and Z-phase were well predicted based on many conditions like the temperature as well as compositions. Meanwhile, the role of different alloying elements was also considered as they will directly affect the formation of the secondary phases mentioned above based on the compositional evolution of the alloying elements. 2) An investigation of Creep Resistance in Grade 91 Steel through Computational Thermodynamics. We systematically considered the evolution of the four critical temperatures, Ac3, Ac1, the threshold of M23C6 and Z-phase, on basis of the computational approach. Meanwhile, the equilibrium cooling as well as Scheil simulations were also considered to perform further predictions based on the different cooling rates. 3) Creep lifetime and microstructural evolution of the Grade 91 steel. In this part, mainly experimental approach was performed on the real creep test from the beginning of the commercial Gr.91 alloys. The alloys were normalized, tempered, welded (Gleeble) and PWHT and finally subjected to the creep lifetime analyses. Finally, all the samples after each process were further characterized based on the OM, XRD and SEM technique to draw final conclusions.

01 COAL, LIGNITE, AND PEAT↗

Determination and correction of distortions and systematic errors in low-energy electron diffraction

We developed and implemented an algorithm to determine and correct systematic distortions in low-energy electron diffraction (LEED) images. The procedure is in principle independent of the design of the apparatus (spherical or planar phosphorescent screen vs. channeltron detector) and is therefore applicable to all device variants, known as conventional LEED, micro-channel plate LEED, and spot profile analysis LEED. The essential prerequisite is a calibration image of a sample with a well-known structure and a suitably high number of diffraction spots, e.g., a Si(111)-7×7 reconstructed surface. The algorithm provides a formalism which can be used to rectify all further measurements generated with the same device. In detail, one needs to distinguish between radial and asymmetric distortion. Additionally, it is necessary to know the primary energy of the electrons precisely to derive accurate lattice constants. Often, there will be a deviation between the true kinetic energy and the value set in the LEED control. Here, we introduce a method to determine this energy error more accurately than in previous studies. Following the correction of the systematic errors, a relative accuracy of better than 1% can be achieved for the determination of the lattice parameters of unknown samples.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Structural and Dynamical Analysis of the Quiescent Molecular Ridge in the Large Magellanic Cloud

We present a comparison of low-J13CO and CS observations of four different regions in the LMC—the quiescent Molecular Ridge, 30 Doradus, N159, and N113, all at a resolution of ∼3 pc. The regions 30 Dor, N159, and N113 are actively forming massive stars, while the Molecular Ridge is forming almost no massive stars, despite its large reservoir of molecular gas and proximity to N159 and 30 Dor. We segment the emission from each region into hierarchical structures using dendrograms and analyze the sizes, masses, and line widths of these structures. We find that the Ridge has significantly lower kinetic energy at a given size scale and also lower surface densities than the other regions, resulting in higher virial parameters. This suggests that the Ridge is not forming massive stars as actively as the other regions because it has less dense gas and not because collapse is suppressed by excess kinetic energy. We also find that these physical conditions and energy balance vary significantly within the Ridge and that this variation appears only weakly correlated with distance from sites of massive-star formation such as R136 in 30 Dor, which is ∼1 kpc away. These variations also show only a weak correlation with local star formation activity within the clouds.

Molly K Finn↗

Scaling law of electron confinement in a zero beta polywell device

Orbital theory simulation was applied to an electron trap that uses a cube shaped magnetic cusp known as a Polywell device. The purpose of this device is to create a virtual cathode in order to achieve nuclear fusion using inertial electrostatic confinement. Analytical expressions of the electron confinement time and average position within the device were obtained in terms of the current in the field coils, the dimensions of the device, and the kinetic energy of the electrons. Comparisons with numerical simulations showed good agreement over a parameter range that spanned several orders of magnitude for the current. In addition, power loss from electrons exiting the trap was estimated in order to obtain minimum power requirement to maintain a virtual cathode within the device.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Release of Evaluated 235 U(n,f) Average Prompt Fission Neutron Multiplicities Including the CGMF Model

This report documents an evaluation of the average prompt fission neutron multiplicity, $\overline{v}_p$, of 235 U from 200 keV to 15 MeV that is a potential release candidate for the upcoming U.S. nuclear data library, ENDF/B-VIII.1. This evaluation had to be re-done from "scratch", as the input to the $\overline{v}_p$ evaluation of the previous library, ENDF/B-VIII.0, was lost. That means that all available experimental data were re-analyzed and uncertainties were re-estimated. Another major difference to ENDF/B-VIII.0 is that this evaluation includes model information from the Hauser-Feshbach fission fragment decay code CGMF, while ENDF/B-VIII.0 is based purely on experimental data. CGMF links several fission quantities with each other; $\overline{v}_p$ is predicted by assumptions made on, e.g., pre-neutron emission yields as a function of mass, the total kinetic energy, or spin and parity of fission fragments. This allows to perform two types of validation for the new 235 U $\overline{v}_p$: On the one hand, one can employ evaluated CGMF parameters obtained from fitting to experimental 235 U $\overline{v}_p$ to predict yields as a function of mass, the average total kinetic energy, or the mean energy of the prompt fission neutron spectrum. These model-predicted values can then be compared to experimental and evaluated data. The model-predicted fission-observable values using evaluated parameters obtained here are reasonably close to experimental data indicating the evaluated 235 U(n,f) $\overline{v}_p$ are physical. On the other hand, one can validate 235 U $\overline{v}_p$ with respect to integral responses such as fast ICSBEP critical assemblies or LLNL pulsed spheres. LLNL pulsed-sphere neutron-leakage spectra are minimally impacted by the new 235 U $\overline{v}_p$ as these experimental data are shape data and the $\overline{v}_p$ would mostly lead to a change in normalization of the data as the spheres are relatively thin (0.7 and 1.5 mean-free path) and, thus, mostly depend on 235 U $\overline{v}_p$ from 12-15 MeV. The change in the predicted effective neutron multiplication factor, k eff , of selected ICSBEP critical assemblies, however, is large compared to values using ENDF/B-VIII.0 and experimental k eff : The average bias is 108 pcm across all studied k eff values versus 12 pcm for ENDF/B-VIII.0. A reasonable performance in simulating keff (mean bias of 14 pcm) can be retained by tweaking 235 U $\overline{v}_p$ from 3-5 MeV, and combining it with a recent 235 U PFNS evaluation that is also a ENDF/B-VIII.1 release candidate.

235U↗