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At least 19 records

Mineral Scale Formation during Crossflow Reverse Osmosis at Constant Flux and Constant Transmembrane Pressure Conditions

Mineral scale formation on membrane surfaces is a significant challenge in reverse osmosis water purification. Laboratory fouling experiments are typically run such that the transmembrane pressure (TMP) is fixed, and the permeate flux decreases over time as scales accumulate on the membrane surface. However, this change in flux means that the hydrodynamic conditions at the membrane surface are continuously changing, which could affect crystallization and foulant deposition processes. Operating under constant permeate flux conditions, in contrast, is advantageous because it keeps the hydrodynamic conditions relatively consistent, making it possible to compare how membrane properties (e.g., surface chemistry) affect fouling propensity. Industrial reverse osmosis operations are not run strictly in either constant TMP or constant flux mode; while they may start at a constant TMP, feed pressure may be periodically adjusted to maintain permeate water production within a specified range. Here, the scarcity of constant permeate flux reverse osmosis scaling experiments reported in the literature frustrates efforts to compare membrane fouling processes under constant TMP and constant flux conditions. For the first time, the evolution of the fouling layer resistance was compared as a function of cumulative permeate volume per membrane area during constant TMP and constant flux reverse osmosis filtrations. Scaling experiments were conducted by challenging commercial reverse osmosis membranes with a model feed solution nearly saturated with calcium sulfate dihydrate (gypsum). At low fluxes, the increase in fouling layer resistance was quantitatively similar for the two operational modes. In contrast, at high fluxes, the fouling layer resistance increased more rapidly in constant flux filtration than in constant TMP filtration. The mechanism of scale formation in constant TMP and constant flux operation was self-limiting and self-reinforcing, respectively.

36 MATERIALS SCIENCE↗

Uncertainty quantification in elastic constants of SiC f /SiC m tubular composites using global sensitivity analysis

Silicon carbide fiber and silicon carbide matrix (SiC f /SiC m ) tubes produced through the chemical vapor infiltration process have become a candidate cladding material in nuclear applications. The performance of this composite is influenced by many variables such as braiding angle, porosity, material properties, etc., which vary over a range of values due to the inherent fluctuations in the manufacturing process. In this study, the variability in elastic constants of SiC f /SiC m composite has been quantified through multiscale finite element (FE) simulations, variable screening, and high-fidelity surrogate modeling. The key variables dominantly affecting the elastic constants of SiC f /SiC m tubes were identified using global sensitivity analysis. A surrogate to the high-fidelity FE-based model was used in Monte Carlo simulations to generate a hundred thousand samples from which the uncertainty in elastic constants was assessed. It turned out that the coefficient of variation was less than 10%.

Materials Science↗

A Hybrid Constant and Oscillatory Field Ion Mobility Analyzer Using Structures for Lossless Ion Manipulations

Here we explore the combination of constant and oscillatory fields applied in a single device to affect the continuous separation and filtering of ions based on their mobilities. The device explored allows confining and manipulating ions utilizing a combination of radio frequency (rf), direct current (DC) fields, and traveling waves (TW) in a structures for lossless ion manipulations (SLIM) module. We have investigated theoretically and experimentally a concept for continuous filtering of ions based on their mobilities where ions are mobility separated and selected by passage through two regions, both of which incorporated combined TW and constant fields providing opposing forces on the ions. The SLIM module was composed of two surfaces with mirror-image arrays of electrodes and had two regions where the different TW and opposing DC fields could be applied. The filtering capabilities are determined by the applied DC gradient and the TW parameters, such as speed, amplitude, and the TW sequence (i.e., the duty cycle of the traveling wave). The effects of different parameters on the sensitivity and the ion mobility (IM) resolution of the device have been investigated. By appropriately choosing the DC gradient and TW parameters for the two sections, it is possible to transmit ions of a selected mobility while filtering out others of both higher and lower mobility. The novel device described here provides a basis for the targeted analysis of compounds based upon the continuous selection of ions according to their mobility and without the need for high electric fields or pulsed injection. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Sub-Micrometer Zeolite Films on Gold-Coated Silicon Wafers with Single-Crystal-Like Dielectric Constant and Elastic Modulus

A low-temperature synthesis coupled with mild activation produces zeolite films exhibiting low dielectric constant (low-k) matching the theoretically predicted and experimentally measured values for single crystals. This synthesis and activation method allows for the fabrication of a device consisting of a b-oriented film of the pure-silica zeolite MFI (silicalite-1) supported on a gold-coated silicon wafer. The zeolite seeds are assembled by a manual assembly process and subjected to optimized secondary growth conditions that do not cause corrosion of the gold underlayer, while strongly promoting in-plane growth. The traditional calcination process is replaced with a non-thermal photochemical activation to ensure preservation of an intact gold layer. The dielectric constant (k), obtained through measurement of electrical capacitance in a metal-insulator-metal configuration, highlights the ultralow k approximate to 1.7 of the synthetized films, which is among the lowest values reported for an MFI film. There is large improvement in elastic modulus of the film (E approximate to 54 GPa) over previous reports, potentially allowing for integration into silicon wafer processing technology.

Tiriolo, Raffaele↗

Baryon acoustic oscillation, Hubble parameter, and angular size measurement constraints on the Hubble constant, dark energy dynamics, and spatial curvature

ABSTRACT In this paper, we use all available baryon acoustic oscillation, Hubble parameter, and quasar angular size data to constrain six dark energy cosmological models, both spatially flat and non-flat. Depending on the model and data combination considered, these data mildly favour closed spatial hypersurfaces (by as much as 1.7σ) and dark energy dynamics (up to a little over 2σ) over a cosmological constant Λ. The data also favour, at 1.8σ to 3.4σ, depending on the model and data combination, a lower Hubble constant than what is measured from the local expansion rate.

79 ASTRONOMY AND ASTROPHYSICS↗

Prediction of Metabolite Concentrations, Rate Constants and Post-Translational Regulation Using Maximum Entropy-Based Simulations with Application to Central Metabolism of Neurospora crassa

We report the application of a recently proposed approach for modeling biological systems using a maximum entropy production rate principle in lieu of having in vivo rate constants. The method is applied in four steps: (1) a new ordinary differential equation (ODE) based optimization approach based on Marcelin’s 1910 mass action equation is used to obtain the maximum entropy distribution; (2) the predicted metabolite concentrations are compared to those generally expected from experiments using a loss function from which post-translational regulation of enzymes is inferred; (3) the system is re-optimized with the inferred regulation from which rate constants are determined from the metabolite concentrations and reaction fluxes; and finally (4) a full ODE-based, mass action simulation with rate parameters and allosteric regulation is obtained. From the last step, the power characteristics and resistance of each reaction can be determined. The method is applied to the central metabolism of Neurospora crassa and the flow of material through the three competing pathways of upper glycolysis, the non-oxidative pentose phosphate pathway, and the oxidative pentose phosphate pathway are evaluated as a function of the NADP/NADPH ratio. It is predicted that regulation of phosphofructokinase (PFK) and flow through the pentose phosphate pathway are essential for preventing an extreme level of fructose 1,6-bisphophate accumulation. Such an extreme level of fructose 1,6-bisphophate would otherwise result in a glassy cytoplasm with limited diffusion, dramatically decreasing the entropy and energy production rate and, consequently, biological competitiveness.

Cannon, William R.↗

Constant depth, near constant depth, and subcubic size threshold circuits for linear algebraic calculations

A method of increasing an efficiency at which a plurality of threshold gates arranged as neuromorphic hardware is able to perform a linear algebraic calculation having a dominant size of N. The computer-implemented method includes using the plurality of threshold gates to perform the linear algebraic calculation in a manner that is simultaneously efficient and at a near constant depth. “Efficient” is defined as a calculation algorithm that uses fewer of the plurality of threshold gates than a naïve algorithm. The naïve algorithm is a straightforward algorithm for solving the linear algebraic calculation. “Constant depth” is defined as an algorithm that has an execution time that is independent of a size of an input to the linear algebraic calculation. The near constant depth comprises a computing depth equal to or between O(log(log(N)) and the constant depth.

97 MATHEMATICS AND COMPUTING↗

Electrochemistry at Back-Gated, Ultrathin ZnO Electrodes: Field-Effect Modulation of Heterogeneous Electron Transfer Rate Constants by 30× with Enhanced Gate Capacitance

We report steady-state voltammetry of outer-sphere redox species at back-gated ultrathin ZnO working electrodes in order to determine electron transfer rate constants k ET as a function of independently-controlled gate bias, V G . We demonstrate that k ET can be modulated as much as 30-fold by application of V G ≤ 8 V. Key to this demonstration was integrating the ultrathin (5 nm) ZnO on a high dielectric constant (k) insulator, HfO 2 (30 nm), which was grown on a Pd metal gate. The high-k HfO 2 dramatically decreased the required V G values and increased the gate-induced charge in ZnO compared to previous studies. Importantly, the enhanced gating power of the Pd/HfO 2 /ZnO stack meant it was possible to observe a non-monotonic dependence of k ET on V G , which reflects the inherent density of redox acceptor states in solution. Furthermore, this work adds to the growing body of literature demonstrating that electrochemical kinetics (i.e., rate constants and overpotentials) at ultrathin working electrodes can be tuned by V G , independent of the conventional electrochemical working electrode potential.

36 MATERIALS SCIENCE↗

New measurement of the 238 U decay constant with inductively coupled plasma mass spectrometry [New Measurement of the U-238 Decay Constant with Inductively Coupled Plasma Mass Spectrometry]

The 238 U decay constant (λ U-238 ) is fundamental to radioisotope-based chronometry in the Earth and planetary sciences, yet only a single published λ U-238 value (Jaffey et al. in Phys Rev C 4(5):1889–1906, 1971) is widely applied. We have determined λ U-238 via the novel approach of measuring of 234 Th ingrowth in high-purity 238U solutions, using isotope dilution mass spectrometry (ID-MS). The 234 Th decay constant (λ Th-234 ) was measured via decay counting with high-purity Ge (HPGe) $\gamma$ detectors. Preliminary results for λ U-238 agree with the value determined by $a$-counting [1] within the elevated uncertainty of 0.462% (k = 2). Ongoing efforts to reproduce λ U-238 with reduced experimental uncertainties will inform future conclusions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Intrinsic Constraints on Asymmetric Turbulent Transport of Scalars Within the Constant Flux Layer of the Lower Atmosphere: CONSTANT FLUX LAYER

A widely used assumption in boundary layer meteorology is the z independence of turbulent scalar fluxes F s throughout the atmospheric surface layer, where z is the distance from the boundary. This assumption is necessary for the usage of Monin-Obukhov Similarity Theory and for the interpretation of eddy covariance measurements of F s when using them to represent emissions or uptake from the surface. It is demonstrated here that the constant flux assumption offers intrinsic constraints on the third-order turbulent transport of F s in the unstable atmospheric surface layer. When enforcing z independence of F s on multilevel F s measurements collected above different surface cover types, it is shown that increasing instability leads to a novel and universal description of (i) the imbalance between ejecting and sweeping eddy contributions to F s and (ii) the ratio formed by a dimensionless turbulent transport of Fs and a dimensionless turbulent transport of scalar variance. When combined with structural models for the turbulent transport of F s , these two findings offer a new perspective on “closing” triple moments beyond conventional gradient diffusion schemes. A practical outcome is a diagnostic of the constant flux assumption from single-level F s measurements.

54 ENVIRONMENTAL SCIENCES↗

Measuring the Hubble constant and spatial curvature from supernova apparent magnitude, baryon acoustic oscillation, and Hubble parameter data

Cosmic microwave background (CMB) anisotropy (spatial inhomogeneity) data provide the tightest constraints on the Hubble constant, matter density, spatial curvature, and dark energy dynamics. Other data, sensitive to the evolution of only the spatially homogeneous part of the cosmological model, such as Type Ia supernova apparent magnitude, baryon acoustic oscillation distance, and Hubble parameter measurements, can be used in conjunction with the CMB data to more tightly constrain parameters. Recent joint analyses of CMB and such non-CMB data indicate that slightly closed spatial hypersurfaces are favored in nonflat untilted inflation models and that dark energy dynamics cannot be ruled out, and favor a smaller Hubble constant. Here, we show that the constraints that follow from these non-CMB data alone are consistent with those that follow from the CMB data alone and so also consistent with, but weaker than, those that follow from the joint analyses of the CMB and non-CMB data.

79 ASTRONOMY AND ASTROPHYSICS↗

Coarse-Grained Models for Constant pH Simulations of Carboxylic Acids

A model for carboxylic acids, in both the protonated and deprotonated states, is developed in which hydrogen interaction sites are not used and all interactions are short-ranged. A method for constant pH simulations, which exploits these features of the model, is developed. Here, the constant pH method samples protonation states by making discrete Monte Carlo steps and is able to efficiently move between states in two steps. The method is applied to the polymer poly(methacrylic acid), a pH-responsive polymer that undergoes structural changes as a function of pH. The model is able to reproduce the structural changes induced by pH.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Thermodynamics of electrolyte solutions near charged surfaces: Constant surface charge vs constant surface potential

Electric double layers are ubiquitous in science and engineering and are of current interest, owing to their applications in the stabilization of colloidal suspensions and as supercapacitors. While the structure and properties of electric double layers in electrolyte solutions near a charged surface are well characterized, there are subtleties in calculating thermodynamic properties from the free energy of a system with charged surfaces. These subtleties arise from the difference in the free energy between systems with constant surface charge and constant surface potential. In this work, we present a systematic, pedagogical framework to properly account for the different specifications on charged bodies in electrolyte solutions. Our approach is fully variational—that is, all free energies, boundary conditions, relevant electrostatic equations, and thermodynamic quantities are systematically derived using variational principles of thermodynamics. We illustrate our approach by considering a simple electrolyte solution between two charged surfaces using the Poisson–Boltzmann theory. Our results highlight the importance of using the proper thermodynamic potential and provide a general framework for calculating thermodynamic properties of electrolyte solutions near charged surfaces. Specifically, we present the calculation of the pressure and the surface tension between two charged surfaces for different boundary conditions, including mixed boundary conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sample variance in the local measurements of the Hubble constant

The current >3σ tension between the Hubble constant H 0 measured from local distance indicators and from cosmic microwave background is one of the most highly debated issues in cosmology, as it possibly indicates new physics or unknown systematics. In this work, we explore whether this tension can be alleviated by the sample variance in the local measurements, which use a small fraction of the Hubble volume. We use a large-volume cosmological N-body simulation to model the local measurements and to quantify the variance due to local density fluctuations and sample selection. We explicitly take into account the inhomogeneous spatial distribution of type Ia supernovae. Despite the faithful modelling of the observations, our results confirm previous findings that sample variance in the local Hubble constant ($H$ $^{loc}_{0}$) measurements is small; we find σ ($H$ $^{loc}_{0}$)=0.31km s -1 Mpc -1 a nearly negligible fraction of the ~6 km s -1 Mpc -1 necessary to explain the difference between the local and global H 0 measurements. While the H 0 tension could in principle be explained by our local neighbourhood being a underdense region of radius ~150 Mpc, the extreme required underdensity of such a void (δ ≃ -0.8) makes it very unlikely in a ΛCDM universe, and it also violates existing observational constraints. Furthermore, sample variance in a ΛCDM universe cannot appreciably alleviate the tension in H 0 measurements even after taking into account the inhomogeneous selection of type Ia supernovae.

79 ASTRONOMY AND ASTROPHYSICS↗

Determining the hubble constant from hubble parameter measurements

We use 28 measurements of the Hubble parameter, H(z), at intermediate redshifts 0.07⩽z⩽2.3 to determine the present-day Hubble constant H{sub 0} in four cosmological models. We measure H{sub 0}=68.3{sub −2.6}{sup +2.7},68.4{sub −3.3}{sup +2.9},65.0{sub −6.6}{sup +6.5}, and 67.9{sub −2.4}{sup +2.4} km s{sup −1} Mpc{sup −1} (1σ errors) in the ΛCDM (spatially flat and non-flat), ωCDM, and ϕCDM models, respectively. These measured H{sub 0} values are more consistent with the lower values determined from recent data on the cosmic microwave background and baryon acoustic oscillations, as well as with the value found from a median statistical analysis of Huchra’s compilation of H{sub 0} measurements, but include the higher local measurements of H{sub 0} within the 2σ confidence limits.

79 ASTRONOMY AND ASTROPHYSICS↗