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Informing air–carbon ablation modeling with theoretical calculations of atomic oxygen and nitrogen interacting with carbon surfaces

To understand the gas–surface chemistry above the thermal protection system of a hypersonic vehicle, it is necessary to map out the kinetics of key elementary reaction steps. In this work, extensive periodic density functional theory (DFT) calculations are performed to elucidate the interaction of atomic oxygen and nitrogen with both the basal plane and edge sites of highly oriented pyrolytic graphite (HOPG). Reaction energies and barriers are determined for adsorption, desorption, diffusion, recombination, and several reactions. These DFT results are compared with the most recent finite-rate model for air–carbon ablation. Our DFT results corroborated some of the parameters used in the model but suggest that further refinement may be necessary for others. The calculations reported here will help to establish a predictive kinetic model for the complex reaction network present under hypersonic flight conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Coiled Tube Gas Heaters For Nuclear Gas-Brayton Power Conversion

This project developed an alternative design for heat exchangers for application to heating supercritical carbon dioxide (S-CO 2 ) or air for power conversion. We have identified an annular coiled tube bundle configuration–where hot sodium enters tubes from multiple vertical inlet manifold pipes, flows in a spiral pattern radially inward and downward, and then exits into an equal number of vertical outlet manifold pipes–as a potentially attractive option. The S-CO 2 gas or air flows radially outward through the tube bundle. Coiled tube gas heaters (CTGHs) are expected to have excellent thermal shock, long-term thermal creep, in-service inspection, and reparability characteristics, compared to alternative options. CTGHs have significant commonality with modern nuclear steam generators. Extensive experience exists with the design, manufacture, operation, in-service inspection and maintenance of nuclear steam generators. The U.S. Nuclear Regulatory Commission also has extensive experience with regulatory guidance documented in NUREG 0800. CTGHs leverage this experience and manufacturing capability. The most important difference between steam generators and gas-Brayton cycles such as the S-CO 2 cycle is that the heat exchangers must operate with counter flow with high effectiveness to minimize the pinch-point temperature difference between the hot liquid coolant and the heated gas. S-CO 2 -cycle gas heaters also operate at sufficiently elevated temperatures that time dependent creep is important and allowable stresses are relatively low. Designing heat exchangers to operate in this regime requires configurations that minimize stresses and stress concentrations. The cylindrical tubes and cylindrical manifold pipes used in CTGHs are particularly effective geometries. The first major goal of this research project was to develop and experimentally validate a detailed, 3-D multi-phase (gas-solid-liquid) heat transport model for CTGHs, using methods similar to earlier UCB multi-scale models for PCHEs, which will enable optimization of CTGH designs with respect to the number of manifold pipes, S-CO 2 and sodium circulating power, and other design parameters. CTGHs are relatively novel because the tubes loaded in compression as well as the manifold pipes which form the tube sheets. The second major goal of the experimental and modeling effort was to optimize the assembly and heat treatment of the tube-to-tubesheet joints, using a novel tapered joint configuration, and to develop diffusion-bonded joints with high shear strength and creep resistance, as has been done in other applications for tapered plugs. The project would also conduct creep testing of these tubesheet joints in pressurized furnaces under prototypical conditions of stress and temperature, however this was not feasible due to numerous hinderances. Detailed microstructural investigations was conducted on the diffusion bond interface, while the bond strength was evaluated by tensile testing. The mechanical testing quantified the overall strength of the bond and measured the pull out force as well as long term behavior, which complemented the microstructural analysis and gave a complete understanding of the diffusion bond.

30 DIRECT ENERGY CONVERSION↗

A new method for operating a continuous-flow diffusion chamber to investigate immersion freezing: assessment and performance study

Abstract. Glaciation in mixed-phase clouds predominantly occurs through the immersion-freezing mode where ice-nucleating particles (INPs) immersed within supercooled droplets induce the nucleation of ice. Model representations of this process currently are a large source of uncertainty in simulating cloud radiative properties, so to constrain these estimates, continuous-flow diffusion chamber (CFDC)-style INP devices are commonly used to assess the immersion-freezing efficiencies of INPs. This study explored a new approach to operating such an ice chamber that provides maximum activation of particles without droplet breakthrough and correction factor ambiguity to obtain high-quality INP measurements in a manner that previously had not been demonstrated to be possible. The conditioning section of the chamber was maintained at −20 ∘C and water relative humidity (RHw) conditions of 113 % to maximize the droplet activation, and the droplets were supercooled with an independently temperature-controlled nucleation section at a steady cooling rate (0.5 ∘C min−1) to induce the freezing of droplets and evaporation of unfrozen droplets. The performance of the modified compact ice chamber (MCIC) was evaluated using four INP species: K-feldspar, illite-NX, Argentinian soil dust, and airborne soil dusts from an arable region that had shown ice nucleation over a wide span of supercooled temperatures. Dry-dispersed and size-selected K-feldspar particles were generated in the laboratory. Illite-NX and soil dust particles were sampled during the second phase of the Fifth International Ice Nucleation Workshop (FIN-02) campaign, and airborne soil dust particles were sampled from an ambient aerosol inlet. The measured ice nucleation efficiencies of model aerosols that had a surface active site density (ns) metric were higher but mostly agreed within 1 order of magnitude compared to results reported in the literature.

54 ENVIRONMENTAL SCIENCES↗

Oxygen isotope thermometry using quartz inclusions in garnet

Oxygen isotope ratios of quartz inclusions (QI) within garnet from granulite and amphibolite facies gneisses in the Adirondack Mountains, NY were analysed and used to determine metamorphic temperatures. Primary QI for eight of 12 samples have δ 18 O values significantly lower than matrix quartz (MQ). The primary QI retain δ 18 O values representative of thermal conditions during garnet crystallization, whereas the δ 18 O values of MQ were raised by diffusive exchange with other matrix minerals (e.g. mica and feldspar) during cooling. The δ 18 O differences between QI and MQ show that garnet (a mineral with slow diffusion of oxygen) can armour QI from isotopic exchange with surrounding matrix, even during slow cooling. These differences between δ 18 O in MQ and QI can further be used to test cooling rates by Fast Grain Boundary diffusion modelling. Criteria for identifying QI that preserve primary compositions and are suitable for thermometry were developed based on comparative tests. Relations between δ 18 O and inclusion size, distance of inclusion to host–garnet rim, core–rim zonation of individual inclusions, and presence or absence of petrological features (healed cracks in QI, inclusions in contact with garnet cracks lined by secondary minerals, and secondary minerals along the inclusion grain boundary) were investigated. In this study, 61% of QI preserve primary δ 18 O and 39% were associated with features that were linked to reset δ 18 O values. If δ 18 O in garnet is homogeneous and inclusions are removed, laser-fluorination δ 18 O values of bulk garnet are more precise, more accurate, and best for thermometry. Intragrain δ 18 O(Grt) profiles measured in situ by ion microprobe show no δ 18 O zonation. Almandine–rich garnet (Alm 60–75 ) from each sample was measured by laser-fluorination mass-spectrometry (LF-MS) for δ 18 O and compared with ion microprobe measurements of δ 18 O in QI for thermometry. The Δ 18 OO(Qz–Grt) values for Adirondack samples range from 2.66 to 3.24‰, corresponding to temperatures of 640–740 °C (A[Qz–Alm] = 2.71). Out of 12 samples that were used for thermometry, nine are consistent with previous estimates of peak temperature (625–800 °C) based on petrological and carbon–isotope thermometry for regional granulite and upper amphibolite facies metamorphism. The three samples that disagree with independent thermometry for peak metamorphism are from the anorthosite–mangerite–charnockite–granite suite in the central Adirondacks and yield temperatures of 640–665 °C, ~100 °C lower than previous estimates. Finally, these low temperatures could be interpreted as thermal conditions during late (post-peak) crystallization of garnet on the retrograde path.

58 GEOSCIENCES↗

Representing methane emissions from wet tropical forest soils using microbial functional groups constrained by soil diffusivity

Tropical ecosystems contribute significantly to global emissions of methane (CH 4 ), and landscape topography influences the rate of CH 4 emissions from wet tropical forest soils. However, extreme events such as drought can alter normal topographic patterns of emissions. Here we explain the dynamics of CH 4 emissions during normal and drought conditions across a catena in the Luquillo Experimental Forest, Puerto Rico. Valley soils served as the major source of CH 4 emissions in a normal precipitation year (2016), but drought recovery in 2015 resulted in dramatic pulses in CH 4 emissions from all topographic positions. Geochemical parameters including (i) dissolved organic carbon (C), acetate, and soil pH and (ii) hydrological parameters like soil moisture and oxygen (O 2 ) concentrations varied across the catena. During the drought, soil moisture decreased in the slope and ridge, and O 2 concentrations increased in the valley. We simulated the dynamics of CH 4 emissions with the Microbial Model for Methane Dynamics-Dual Arrhenius and Michaelis–Menten (M3D-DAMM), which couples a microbial functional group CH 4 model with a diffusivity module for solute and gas transport within soil microsites. Contrasting patterns of soil moisture, O 2 , acetate, and associated changes in soil pH with topography regulated simulated CH 4 emissions, but emissions were also altered by rate-limited diffusion in soil microsites. Changes in simulated available substrate for CH 4 production (acetate, CO 2 , and H 2 ) and oxidation (O 2 and CH 4 ) increased the predicted biomass of methanotrophs during the drought event and methanogens during drought recovery, which in turn affected net emissions of CH 4 . A variance-based sensitivity analysis suggested that parameters related to aceticlastic methanogenesis and methanotrophy were most critical to simulate net CH 4 emissions. This study enhanced the predictive capability for CH 4 emissions associated with complex topography and drought in wet tropical forest soils.

54 ENVIRONMENTAL SCIENCES↗

Thermographic process monitoring in powderbed based additive manufacturing

Selective Laser Melting is utilized to build metallic parts directly from CAD-Data by solidification of thin powder layers through application of a fast scanning laser beam. In this study layerwise monitoring of the temperature distribution is used to gather information about the process stability and the resulting part quality. The heat distribution varies with different kinds of parameters including scan vector length, laser power, layer thickness and inter-part distance in the job layout which in turn influence the resulting part quality. By integration of an off-axis mounted uncooled thermal detector the solidification as well as the layer deposition are monitored and evaluated. Errors in the generation of new powder layers usually result in a locally varying layer thickness that may cause poor part quality. For effect quantification, the locally applied layer thickness is determined by evaluating the heat-up of the newly deposited powder. During the solidification process space and time-resolved data is used to characterize the zone of elevated temperatures and to derive locally varying heat dissipation properties. Potential quality indicators are evaluated and correlated to the resulting part quality: Thermal diffusivity is derived from a simplified heat dissipation model and evaluated for every pixel and cool-down phase of a layer. This allows the quantification of expected material homogeneity properties. Maximum temperature and time above certain temperatures are measured in order to detect hot spots or delamination issues that may cause a process breakdown. Furthermore, a method for quantification of sputter activity is presented. Since high sputter activity indicates unstable melt dynamics this can be used to identify parameter drifts, improper atmospheric conditions or material binding errors. The resulting surface structure after solidification complicates temperature determination on the one hand but enables the detection of potential surface defects on the other hand. These issues and proper key figures for thermographic monitoring of the Selective Laser Melting process are discussed in the paper. Even though microbolometric temperature measurement is limited to repetition rates in the Hz-regime and sub megapixel resolution, current results show the feasibility of process surveillance by thermography for a limited section of the building platform in a commercial system.

42 ENGINEERING↗

Charge sharing in pixelated semiconductor sensors

The charge sharing between neighboring pixels in pixelated sensors can be used to measure particle or x-ray coordinates with accuracy better than the pixel pitch. The accurate model of the charge distribution shape is essential to achieve ultimate coordinate accuracy. The charge sharing is caused by charge carriers' diffusion on the path from the generation point to pixels. This paper is focused on the diffusion of the initially compact charge cloud in the field free region. The diffusion equation solutions are obtained using separation of variable and Fourier synthesis method for different initial conditions and resulting charge distributions are integrated over pixel areas. In conclusion, the look up table containing pre-calculated values for pixel charge fractions is proposed to speed up numerical calculations.

47 OTHER INSTRUMENTATION↗

Temporal information encoding in dynamic memristive devices

We show temporal and frequency information can be effectively encoded in memristive devices with inherent short-term dynamics. Ag/Ag{sub 2}S/Pd based memristive devices with low programming voltage (∼100 mV) were fabricated and tested. At weak programming conditions, the devices exhibit inherent decay due to spontaneous diffusion of the Ag atoms. When the devices were subjected to pulse train inputs emulating different spiking patterns, the switching probability distribution function diverges from the standard Poisson distribution and evolves according to the input pattern. The experimentally observed switching probability distributions and the associated cumulative probability functions can be well-explained using a model accounting for the short-term decay effects. Such devices offer an intriguing opportunity to directly encode neural signals for neural information storage and analysis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Two critical issues in Langevin simulation of gas flows

A stochastic algorithm based on the Langevin equation has been recently proposed to simulate rarefied gas flows. Compared with the direct simulation Monte Carlo (DSMC) method, the Langevin method is more efficient in simulating small Knudsen number flows. While it is well-known that the cell sizes and time steps should be smaller than the mean free path and the mean collision time, respectively, in DSMC simulations, the Langevin equation uses a drift term and a diffusion term to describe molecule movements, so no direct molecular collisions have to be modeled. This enables the Langevin simulation to proceed with a much larger time step than that in the DSMC method. Two critical issues in Langevin simulation are addressed in this paper. The first issue is how to reproduce the transport properties as that described by kinetic theory. Transport coefficients predicted by Langevin equation are obtained by using Green-Kubo formulae. The second issue is numerical scheme with boundary conditions. We present two schemes corresponding to small time step and large time step, respectively. For small time step, the scheme is similar to DSMC method as the update of positions and velocities are uncoupled; for large time step, we present an analytical solution of the hitting time, which is the crucial factor for accurate simulation. Velocity-Couette flow, thermal-Couette flow, Rayleigh-Bénard flow and wall-confined problem are simulated by using these two schemes. Our study shows that Langevin simulation is a promising tool to investigate small Knudsen number flows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

CO 2 Uptake and Stability Enhancement in Vinyltrimethoxysilane‐Treated SBA‐15 Solid Amine‐Based Sorbents

Abstract Silica‐supported amine absorbents, including materials produced by tethering aminosilanes or infusion of poly(ethyleneimine), represent a promising class of materials for CO 2 capture applications, including direct air and point source capture. Various silica surface treatments and functionalization strategies are explored to enhance stability and CO 2 uptake in amine‐based solid sorbent systems. Here, the synthesis and characterization of novel vinyltrimethoxysilane‐treated Santa Barbara Amorphous‐15 (SBA‐15) supports and the corresponding enhancement in CO 2 uptake compared to various SBA‐15‐based control supports are presented. The relationship between CO 2 diffusion and amine efficiency in these systems is explored using a previously reported kinetic model. The synthesized materials are characterized with CO 2 and H 2 O isotherms, diffuse reflectance infrared Fourier transform spectroscopy, 1 H T 1 – T 2 relaxation correlation NMR, and rapid thermal cycling experiments. The novel support materials are shown to enable high amine efficiencies, approaching a fourfold improvement over standard SBA‐15‐supported amines, while simultaneously exhibiting excellent stability when cycled rapidly under humid conditions. As the poly(ethyleneimine) loadings are held constant across the various samples, enhancements in CO 2 uptake are attributed to differences in the way the poly(ethyleneimine) interacts with the support surface.

Vallace, Anthony↗

Biomass drying in a pulsed fluidized bed without inert bed particles

Batch drying was performed in the pulsed fluidized bed with various species of biomass particles as an indicator of gas–solid contact efficiency and mass transfer rate under different operating conditions including pulsation duty cycle and particle size distribution. The fluidization of cohesive biomass particles benefited from the shorter opening time of pulsed gas flow and increased peak pressure drop. The presence of fines enhanced gas–solid contact of large and irregular biomass particles, as well as the mass transfer efficiency. A drying model based on two-phase theory was proposed, from which effective diffusivity was calculated for various gas flow rates, temperature and pulsation frequency. Intricate relationship was discovered between pulsation frequency and effective diffusivity, as mass transfer was deeply connected with the hydrodynamics. Effective diffusivity was also found to be proportional to gas flow rate and drying temperature. In conclusion, operating near the natural frequency of the system also favored drying and mass transfer.

09 BIOMASS FUELS↗

Thermal and dynamic partition of dumbbell interstitials in complex concentrated alloys

Complex concentrated alloys (CCAs) are promising candidates for applications in extreme conditions, such as irradiation where interstitial mediated diffusion is important. In CCAs with N principal elements, $\frac{N(N+1)}{2}$ types of dumbbell interstitials exist. Currently, there is no way to predict the thermal partition (fractional concentration at equilibrium) and the dynamic partition (fractional time an interstitial spends during diffusion) of each type of dumbbell interstitial. To mitigate this issue, this work proposes a theoretical model for computing the equilibrium concentrations and thermal partition of dumbbell interstitials in CCAs and validates the model using grand canonical Monte Carlo simulations. Lattice kinetic Monte Carlo simulations show that the thermal partition is equivalent to the dynamic partition, and both are governed by composition and formation energies of dumbbells. As a result, the model proposed provides a foundation for understanding radiation enhanced diffusion and induced segregation in CCAs under irradiation.

36 MATERIALS SCIENCE↗

A NEW MODEL FOR MIXING BY DOUBLE-DIFFUSIVE CONVECTION (SEMI-CONVECTION). II. THE TRANSPORT OF HEAT AND COMPOSITION THROUGH LAYERS

Regions of stellar and planetary interiors that are unstable according to the Schwarzschild criterion, but stable according to the Ledoux criterion, are subject to a form of oscillatory double-diffusive (ODD) convection often called ''semi-convection''. In this series of papers, we use an extensive suite of three-dimensional (3D) numerical simulations to quantify the transport of heat and composition by ODD convection, and ultimately propose a new 1D prescription that can be used in stellar and planetary structure and evolution models. The first paper in this series demonstrated that under certain conditions ODD convection spontaneously transitions from an initial homogeneous state of weak wave-breaking turbulence into a staircase of fully convective layers, which results in a substantial increase in the transport of heat and composition. Here, we present simulations of ODD convection in this layered regime, we describe the dynamical behavior of the layers, and we derive empirical scaling laws for the transport through layered convection.

79 ASTRONOMY AND ASTROPHYSICS↗

Combined crystal plasticity and grain boundary modeling of creep in ferritic-martensitic steels: I. Theory and implementation

This paper presents a physically-based microstructural model for creep rupture at 600 degrees °C for Grade 91 steel. The model includes constitutive equations that reflect various observed phenomena in Grade 91, and it is incorporated into a mesoscale finite element model with explicit geometry for the prior austenite grains and grain boundaries. Creep within the grains is represented using crystal plasticity for dislocation motion and recovery along with linear viscous diffusional creep for point defect diffusion. The grain boundary models include physics-based models for cavity growth and nucleation that accurately capture tertiary creep and creep rupture. Simulations of creep at 100 MPa are performed, and the contribution of each mechanism is analyzed. The overarching goal is to gain a mechanistic understanding of the material to improve the prediction of creep rupture for long service lives in elevated temperature operating conditions. The creep response of the material at different stress levels, stress states, and temperatures is studied in Part 2 of this paper in order to determine the implications of the simulations on high temperature design practice. Furthermore, the second part explores the effect of triaxial stress states on the creep response and finds a transition from notch-strengthening behavior at high stress to notch-weakening behavior at lower stresses.

36 MATERIALS SCIENCE↗

Contaminant Leaching From Intact Saltstone Monoliths - 17517

At the Department of Energy's (DOE's) Savannah River Site (SRS) chemically reducing materials, such as blast furnace slag (BFS), are added to grout formulations mixed with low-level radioactive salt solution in order to enhance the attenuation of redox sensitive contaminants (e.g., technetium-99 (Tc-99)). The resulting cementitious material, known as saltstone, is deposited in a series of concrete vaults for permanent disposal at the Saltstone Disposal Facility (SDF). Under oxidizing conditions, Tc persists as an anion in the +7 oxidation state, i.e., pertechnetate (TcO{sub 4}{sup -}), with very limited retention generally associated with amphoteric soil oxides. However, Tc(VII) is subject to chemical reduction to the +4 oxidation state, which is less soluble and mobile in the environment. Thus, chemically reducing grouts provide both a physical (i.e., low saturated hydraulic conductivities (K{sub sat}) that limit H{sub 2}O turnover and O{sub 2} exposure) and chemical barrier (i.e., residual reductive capacity) to contaminant release. However, many of the previous experiments evaluating the ability of saltstone to chemically reduce and immobilize Tc have been conducted using ground saltstone materials as sorbents, a practice that is likely to reduce the moisture level in the material, enhance exposure to O{sub 2} and alter sorbent properties in an unpredictable manner. Therefore, the objective of the current study was to evaluate contaminant leaching from intact monoliths that better represent the initial physical and chemical state of saltstone within the SDF disposal units. For the current study, saltstone simulants were produced utilizing SRR prescribed formulations: initial batches were spiked with rhenium (Re) to serve as nonradioactive analog for Tc-99, and subsequent batches were spiked with Tc-99 for comparison. The relative concentrations of I, Re and Tc-99 in the salt-waste simulants were consistent with the average concentrations of I-129 and Tc-99 in the low-level feed waste. In addition, SRR retrieved intact monoliths from Saltstone Disposal Unit (SDU) Cell 2A in 2015 for testing. Contaminant mass transfer rates for Tc-99 and other contaminants from spiked saltstone simulants and actual SDF saltstone samples were assessed using EPA Method 1315, Mass Transfer Rates of Constituents in Monolithic or Compacted Granular Materials Using a Semi-Dynamic Tank Leaching Procedure. This method was recently adopted for evaluating contaminant leaching from intact monolithic materials. Given the importance of redox speciation in controlling the mobility of Tc-99, the EPA mass transfer tests for the spiked simulants were initially conducted using leachates in equilibrium with three different test atmospheres: (1) oxic, (2) anoxic, and (3) anoxic reducing. Nitrate (NO{sub 3}{sup -}) leaching was evaluated as a poorly retained waste constituent. The leaching behavior of cesium-137 (Cs-137), representing about 98% of the initial radioactivity of the saltstone, was also evaluated for the SDU-extracted samples. Results from Method 1315 were also compared to a novel Dynamic Leaching Method (DLM) in which a flexible-wall permeameter was used to achieve saturated leaching under an elevated hydraulic gradient in an effort to evaluate the persistence of reductive capacity and subsequent changes in contaminant partitioning within intact saltstone monoliths. The composition of the chemical leachates from both tests was thoroughly analyzed in an effort to identify potential solid phases controlling contaminant partitioning through geochemical modeling. For the EPA 1315 tests using spiked simulants, Re leaching rates (and other poorly sorbing contaminants like NO{sub 3}{sup -} and iodine), as indicated by high effective diffusivities (D{sub e}) and low leachability indices (i.e. LI = - log[D{sub e}]), were much higher than Tc-99, which was attributed to poor initial reduction and/or rapid oxidation of Re, indicating that Re is a poor chemical analog for evaluating Tc partitioning under reducing conditions. Technetium-99 leaching rates for the spiked saltstone samples also appeared to be sensitive to the estimated reduction capacity of the dry feed materials used in making grout, a characteristic that can vary between different BFS sources. Technetium-99 leaching rates for the intact saltstone samples in the EPA 1315 test were quite similar, with less variability between the three test samples. This may be indicative of the longer curing time before the SDF samples were tested (∼3 years). Somewhat surprisingly, the leaching rates for Cs-137 from the SDF samples were generally lower than the poorly sorbing contaminants, NO{sub 3}{sup -} and iodine. For the DLM tests, Re leaching from spiked saltstone was much higher than observed for Tc-99, with rates similar to that of non-reactive grout constituents, consistent with EPA 1315 leaching rates. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Formation of magnetized prestellar cores with ambipolar diffusion and turbulence

We investigate the roles of magnetic fields and ambipolar diffusion during prestellar core formation in turbulent giant molecular clouds, using three-dimensional numerical simulations. Our simulations focus on the shocked layer produced by a converging large-scale flow and survey varying ionization and the angle between the upstream flow and magnetic field. We also include ideal magnetohydrodynamic (MHD) and hydrodynamic models. From our simulations, we identify hundreds of self-gravitating cores that form within 1 Myr, with masses M ∼ 0.04-2.5 M {sub ☉} and sizes L ∼ 0.015-0.07 pc, consistent with observations of the peak of the core mass function. Median values are M = 0.47 M {sub ☉} and L = 0.03 pc. Core masses and sizes do not depend on either the ionization or upstream magnetic field direction. In contrast, the mass-to-flux ratio does increase with lower ionization, from twice to four times the critical value. The higher mass-to-flux ratio for low ionization is the result of enhanced transient ambipolar diffusion when the shocked layer first forms. However, ambipolar diffusion is not necessary to form low-mass supercritical cores. For ideal MHD, we find similar masses to other cases. These masses are one to two orders of magnitude lower than the value M {sub mag,} {sub sph} = 0.007B {sup 3}/(G {sup 3/2}ρ{sup 2}) that defines a magnetically supercritical sphere under post-shock ambient conditions. This discrepancy is the result of anisotropic contraction along field lines, which is clearly evident in both ideal MHD and diffusive simulations. We interpret our numerical findings using a simple scaling argument that suggests that gravitationally critical core masses will depend on the sound speed and mean turbulent pressure in a cloud, regardless of magnetic effects.

79 ASTRONOMY AND ASTROPHYSICS↗

Regenerative Carbonate-Based Thermochemical Energy Storage System for Concentrating Solar Power

Southern Research has developed a thermochemical energy storage (TCES) technology that utilizes the endothermic-exothermic reversible carbonation of calcium oxide (lime) to store thermal energy at high-temperatures, such as those achieved by next generation concentrating solar power (CSP) facilities. The major challenges addressed in the development of this system include refining a high capacity, yet durable sorbent material and designing a low thermal resistance low-cost heat exchanger reactor system to move heat between the sorbent and a heat transfer fluid under conditions relevant for CSP operation (e.g., energy density, reaction kinetics, heat flow). The proprietary stabilized sorbent was developed by Precision Combustion, Inc. (PCI). A factorial matrix of sorbent compositions covering the design space was tested using accelerated high throughput screening in a thermo-gravimetric analyzer. Several promising formulations were selected for more thorough evaluation and one formulation with high capacity (0.38 g CO 2 /g sorbent) and durability (>99.7% capacity retention over 100 cycles) was chosen as a basis for further development of the energy storage reactor system. In parallel with this effort, a full range of currently available commercial and developmental heat exchange reactor systems and sorbent loading methods were examined through literature research and contacts with commercial vendors. Process models were developed to examine if a heat exchange reactor system and balance of plant can meet required TCES performance and cost targets, optimizing tradeoffs between thermal performance, exergetic efficiency, and cost. Reactor types evaluated included many forms, from microchannel reactor, to diffusion bonded heat exchanger, to shell and tube heat exchangers. The most viable design for application to a supercritical CO 2 power cycle operating at 200-300 bar pressure and >700°C was determined to be a combination of a diffusion bonded heat exchanger with a shell and tube reactor. A bench scale reactor system was then designed and constructed to test sorbent performance under more commercially relevant conditions. This system utilizes a tube-in tube reactor design containing approximately 250 grams sorbent and is able to operate under a wide range of temperature, pressure and flow conditions as needed to explore system performance under a variety of operating conditions. A variety of sorbent loading methods may be tested using the reactor design. Initial bench test results over 25 cycles showed very high sorbent stability (>99%) and sufficient capacity (>0.28 g CO 2 /g sorbent) for an economical commercial-scale system. Initial technoeconomic evaluation of the proposed storage system show that the sorbent cost should not have a significant impact on overall system cost, and that the largest cost impacts come from the heat exchanger reactor and balance of plant equipment, including compressors and gas storage, due to the high temperatures for sCO 2 cycles. Current estimated system costs are $47/kWhth based on current material and equipment cost estimates.

14 SOLAR ENERGY↗