Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Gas sampling”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Modeling Dust Production, Growth, and Destruction in Reionization-era Galaxies with the CROC Simulations: Methods and Parameter Exploration

We introduce a model for the explicit evolution of interstellar dust in a cosmological galaxy formation simulation. We post-process a simulation from the Cosmic Reionization on Computers project, integrating an ordinary differential equation for the evolution of the dust-to-gas ratio along pathlines in the simulation sampled with a tracer particle technique. This model incorporates the effects of dust grain production in asymptotic giant branch star winds and supernovae, grain growth due to the accretion of heavy elements from the gas phase of the interstellar medium, and grain destruction due to thermal sputtering in the high-temperature gas of supernova remnants due to thermal sputtering. A main conclusion of our analysis is the importance of a carefully chosen dust destruction model, for which different reasonable parameterizations can predict very different values at the ∼100 pc resolution of the interstellar medium (ISM) in our simulations. We run this dust model on the single most massive galaxy in a 10 h$^{−1}$ comoving megaparsec box, which attains a stellar mass of ∼2 × 10$^{9}$ M $_{⊙}$ by z = 5. We find that the model is capable of reproducing dust masses and dust-sensitive observable quantities broadly consistent with existing data from high-redshift galaxies. The total dust mass in the simulated galaxy is somewhat sensitive to parameter choices for the dust model, especially the timescale for grain growth due to accretion in the ISM. Consequently, observable quantity observations that can constrain galaxy dust masses at these epochs are potentially useful for placing constraints on dust physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Investigation of methane mass transfer and sorption in Marcellus shale under variable net-stress

Natural gas in shale exists as free and adsorbed gas, subject to prevailing pore pressures and stress conditions. Accordingly, to accurately estimate/predict the shale gas recovery potential, a central requirement is to represent gas transport and sorption behavior under varying stress conditions. The objective of this work is to facilitate the interpretation of laboratory-scale experiments, at relevant conditions, in an attempt to bridge the gap in scales between laboratory- and field-scale observations. We have conducted a series of high-pressure experiments on a full-diameter core sample from the Marcellus shale. These include gas loading (pressure-decay) and depletion (production) experiments with pure methane (CH 4 ) at variable stress conditions to characterize transport and sorption behavior under reservoir-relevant conditions. Here we have formulated and applied a novel integral model for mass transfer and storage in multi-porosity shale systems that allows us to effectively investigate transport and sorption phenomena: We delineate gas transport by interpreting helium (He) pressure-decay experiments and demonstrate how to use the information gained to calculate the relevant transport coefficients of CH 4 and other gases. A separate measurement of the CH 4 sorption isotherm on a smaller sample (a shale cube) was interpreted and combined with the transport description to predict the production behavior of CH 4 from the experiments with the full-diameter core. Our experiments demonstrate that the representation of sorption hysteresis is crucial for predicting and guiding shale gas production: At the end of both gas production experiments, approximately 20% of the initial gas in place remained in the core. Without accounting for sorption hysteresis, our modeling demonstrates that the CH 4 production could be overestimated by 10%. We demonstrate that our integral, triple-porosity model provides an effective approach for the interpretation and prediction of gas transport and sorption behavior during loading and production experiments on shale cores under variable net-stress conditions. In summary, our work combines measurements and modeling of mass transfer and sorption in shales at different scales to validate a characterization approach that facilitates an improved understanding of shale gas production. Furthermore, the triple-porosity model utilized in our work defines a potential pathway for the translation of laboratory-scale experimentation to larger-scale applications.

58 GEOSCIENCES↗
DOE OSTI2021

Power Grid Reliability Estimation via Adaptive Importance Sampling

Electricity production currently generates approximately 25% of greenhouse gas emissions in the USA. Thus, increasing the amount of renewable energy is a key step to carbon neutrality. However, integrating a large amount of fluctuating renewable generation is a significant challenge for power grid operating and planning. Grid reliability, i.e., an ability to meet operational constraints under power fluctuations, is probably the most important of them. In this letter, we propose computationally efficient and accurate methods to estimate the probability of line overflow, i.e., reliability constraints violation, under a known distribution of renewable energy generation. To this end, we investigate an importance sampling approach, a flexible extension of Monte-Carlo methods, which adaptively changes the sampling distribution to generate more samples near the reliability boundary. The approach allows to estimate overload probability in real-time based only on a few dozens of random samples, compared to thousands required by the plain Monte-Carlo. Our study focuses on high voltage direct current power transmission grids with linear reliability constraints on power injections and line currents. Herein, we propose a novel theoretically justified physics-informed adaptive importance sampling algorithm and compare its performance to state-of-the-art methods on multiple IEEE power grid test cases.

power system faults↗
DOE OSTI2025

Characterizing Hazardous Gases from NMC811 Materials and Coin Cells with TGA and Tube-Furnace FTIR-MS Evolved-Gas-Analysis

Abuse testing is useful for informing the risks of different battery chemistries but has been limited to larger formats. This paper conducted thermal abuse tests at the smaller coin cell level to determine its relevance in specifying vent gas flammability and toxicity. A nitrogen purge carried the evolved gases into a parallel Fourier-transform infrared spectrometer (FTIR) and a mass spectrometer (MS) downstream of the tube furnace. The experimental system was validated by comparing evolved gas data for single components between the tube furnace system and a thermogravimetric analysis (TGA) instrument. Multiple samples were tested during validation, including CaCO3, electrolyte, delithiated NMC 811 cathode, and lithiated graphite anode. Temperature-resolved gas evolution of HF, CO2, CO, H2, and hydrocarbons from isolated components helped to characterize the emission sources. A previously unreported H2 generation mechanism was found. It was shown that the reduced NMC cathode acts as a catalyst to crack polypropylene-decomposed hydrocarbons into H2 at around 450 degrees C. It was also shown, while studying LiPF6 thermal decomposition, that using the tube furnace with a coin cell casing as the sample holder has some advantages for evolved-gas analysis of environmentally sensitive samples relative to testing in TGA instruments. After validation with single components, a fully charged NMC 811 coin cell was failed in the tube furnace. The measured evolved gases were found to be a combination of the species measured from the single component tests. H2 formation related to the reduced cathode was found to have greater abundance than H2 formed from the anode. Hydrogen fluoride emission factors and diethyl carbonate conversion emission factors assist in understanding the gaseous hazards for larger format cells.

25 ENERGY STORAGE↗
DOE OSTI2022

Leaf reflectance, leaf transmittance and sky irradiance, at four sites in Panama, 2022

Paired leaf reflectance and transmittance data measured in Panama, at the Parque Natural Metropolitano (PNM), on Barro Colorado Island (BCI), at the San Lorenzo canopy crane site (SLZ), and in Gamboa, Panama from January to April 2022. Measurements were made on leaves from 57 different tree, shrub and liana species, from sunlit canopy and understory locations. Bark reflectance was also measured on the trunks of common tree species at the PNM and SLZ sites. Also included are irradiance measurements and leaf area index (LAI) from eight vertical profiles at PNM. The aim of these data was to refine our understanding of vertical trait and environmental variation in tropical forests, and to improve models which can predict leaf traits from leaf contact spectral measurements. All spectral data and metadata are presented in .csv files and complete instrument output are included in .zip folders. Protocol details are provided as pdf documents. In addition to spectral data described here, some of these samples were also used for measurement of leaf gas exchange, carbon and nitrogen content, and leaf mass per unit leaf area (LMA) these data can be cross linked using the unique sample ID and are provided in separate related data packages.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Femtosecond X-ray Diffraction of Laser-shocked Forsterite (Mg 2 SiO 4 ) to 122 GPa

The response of forsterite, Mg 2 SiO 4 , under dynamic compression is of fundamental importance for understanding its phase transformations and high-pressure behavior. Here, we have carried out an in situ X-ray diffraction study of laser-shocked polycrystalline and single-crystal forsterite from 19 to 122 GPa using the Matter in Extreme Conditions end-station of the Linac Coherent Light Source. Under laser-based shock loading, forsterite does not transform to the high-pressure equilibrium assemblage of MgSiO 3 bridgmanite and MgO periclase, as has been suggested previously. Instead, we observe forsterite and forsterite III, a metastable polymorph of Mg 2 SiO 4 , coexisting in a mixed-phase region from 33 to 75 GPa for both polycrystalline and single-crystal samples. Densities inferred from X-ray diffraction are consistent with earlier gas-gun shock data. At higher stress, the response is sample-dependent. Polycrystalline samples undergo amorphization above 79 GPa. For [010]- and [001]-oriented crystals, a mixture of crystalline and amorphous material is observed to 108 GPa, whereas the [100]-oriented forsterite adopts an unknown phase at 122 GPa. The first two sharp diffraction peaks of amorphous Mg 2 SiO 4 show a similar trend with compression as those observed for MgSiO 3 in both recent static- and laser-driven shock experiments. This study provides new insight into the transformation of forsterite under nanosecond-duration shock loading. This work emphasizes the importance of formation of metastable phases along the Hugoniot and adds to evidence that the 300-K single-crystal diamond anvil cell experiments have relevance for understanding structures formed under shock compression. In particular, the metastable phase forsterite III has now been shown to form under dynamic compression from 10s to 100s of nanoseconds as well as under 300-K static compression. Upon compression to higher pressures, Mg 2 SiO 4 transforms to an amorphous phase. These results have broad relevance for understanding the behavior of silicates under dynamic compression.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Phase Transitions in (Mg,Fe) 2 SiO 4 Olivine under Shock Compression

The response of forsterite, Mg 2 SiO 4 , under dynamic compression is of fundamental importance for understanding its phase transformations and high-pressure behavior. Here, we have carried out an in situ X-ray diffraction study of laser-shocked polycrystalline and single-crystal forsterite from 19 to 122 GPa using the Matter in Extreme Conditions end-station of the Linac Coherent Light Source. Under laser-based shock loading, forsterite does not transform to the high-pressure equilibrium assemblage of MgSiO 3 bridgmanite and MgO periclase, as has been suggested previously. Instead, we observe forsterite and forsterite III, a metastable polymorph of Mg 2 SiO 4 , coexisting in a mixed-phase region from 33 to 75 GPa for both polycrystalline and single-crystal samples. Densities inferred from X-ray diffraction are consistent with earlier gas-gun shock data. At higher stress, the response is sample-dependent. Polycrystalline samples undergo amorphization above 79 GPa. For [010]- and [001]-oriented crystals, a mixture of crystalline and amorphous material is observed to 108 GPa, whereas the [100]-oriented forsterite adopts an unknown phase at 122 GPa. The first two sharp diffraction peaks of amorphous Mg 2 SiO 4 show a similar trend with compression as those observed for MgSiO 3 in both recent static- and laser-driven shock experiments. This study provides new insight into the transformation of forsterite under nanosecond-duration shock loading. This work emphasizes the importance of formation of metastable phases along the Hugoniot and adds to evidence that the 300-K single-crystal diamond anvil cell experiments have relevance for understanding structures formed under shock compression. In particular, the metastable phase forsterite III has now been shown to form under dynamic compression from 10s to 100s of nanoseconds as well as under 300-K static compression. Upon compression to higher pressures, Mg 2 SiO 4 transforms to an amorphous phase. These results have broad relevance for understanding the behavior of silicates under dynamic compression.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The XMM Cluster Survey: automating the estimation of hydrostatic mass for large samples of galaxy clusters – I. Methodology, validation, and application to the SDSSRM-XCS sample

ABSTRACT We describe features of the X-ray: Generate and Analyse (xga) open-source software package that have been developed to facilitate automated hydrostatic mass ($M_{\rm hydro}$) measurements from XMM X-ray observations of clusters of galaxies. This includes describing how xga measures global, and radial, X-ray properties of galaxy clusters. We then demonstrate the reliability of xga by comparing simple X-ray properties, namely the X-ray temperature and gas mass, with published values presented by the XMM Cluster Survey (XCS), the Ultimate XMM eXtragaLactic survey project (XXL), and the Local Cluster Substructure Survey (LoCuSS). xga measured values for temperature are, on average, within 1 per cent of the values reported in the literature for each sample. xga gas masses for XXL clusters are shown to be ${\sim }$10 per cent lower than previous measurements (though the difference is only significant at the $\sim 1.8\sigma$ level), LoCuSS $R_{2500}$ and $R_{500}$ gas mass re-measurements are 3 per cent and 7 per cent lower, respectively (representing 1.5$\sigma$ and 3.5$\sigma$ differences). Like-for-like comparisons of hydrostatic mass are made to LoCuSS results, which show that our measurements are $10{\pm }3~{{\rm per\ cent}}$ ($19{\pm }7~{{\rm per\ cent}}$) higher for $R_{2500}$ ($R_{500}$). The comparison between $R_{500}$ masses shows significant scatter. Finally, we present new $M_{\rm hydro}$ measurements for 104 clusters from the Sloan Digital Sky Survey (SDSS) DR8 redMaPPer XCS sample (SDSSRM-XCS). Our SDSSRM-XCS hydrostatic mass measurements are in good agreement with multiple literature estimates, and represent one of the largest samples of consistently measured hydrostatic masses. We have demonstrated that xga is a powerful tool for X-ray analysis of clusters; it will render complex-to-measure X-ray properties accessible to non-specialists.

Turner, D. J. (ORCID:0000000196581396)↗
DOE OSTI2022

Spatially resolved properties of early-type group-dominant galaxies with MUSE: gas content, ionization mechanisms, and metallicity gradients

ABSTRACT With the goal of a thorough investigation of the ionized gas and its origin in early-type group-dominant galaxies, we present archival MUSE data for 18 galaxies from the Complete Local-Volume Groups Sample (CLoGS). These data allowed us to study the spatially resolved warm gas properties, including the morphology of the ionized gas, EW(H α), and kinematics as well as the gas-phase metallicity (12 + log(O/H)) of these systems. In order to distinguish between different ionization mechanisms, we used the emission-line ratios [O iii]/H β and [N ii]/H α in the BPT diagrams and EW(H α). We find that the ionization sources in our sample have variable impacts at different radii; central regions are more influenced by low-luminosity active galactic nuclei, while extended regions of low-ionization nuclear emission-line region-like emission are ionized by other mechanisms with post-asymptotic giant branch stars photoionization likely contributing significantly. We classified our sample into three H α +[N ii] emission morphology types. We calculate the gas-phase metallicity assuming several methods and ionization sources. In general, 12 + log(O/H) decreases with radius from the centre for all galaxies, independently of nebular morphology type, indicating a metallicity gradient in the abundance profiles. Interestingly, the more extended filamentary structures and all extranuclear star-forming regions present shallow metallicity gradients. Within the uncertainties these extended structures can be considered chemically homogeneous. We suggest that group-dominant galaxies in our sample likely acquired their cold gas in the past as a consequence of one or more mechanisms, e.g. gas-clouds or satellite mergers/accretion and/or cooling flows that contribute to the growth of the ionized gas structures.

Lagos, P. (ORCID:0000000223218657)↗
DOE OSTI2022

SDSS IV MaNGA: characteristics of edge-on galaxies with a counter-rotating gaseous disc

ABSTRACT Counter-rotating components in galaxies are one of the most direct forms of evidence for past gas accretion or merging. We discovered 10 edge-on disc gaseous counter-rotators in a sample of 523 edge-on galaxies identified in the final MaNGA (Mapping Nearby Galaxies at APO) IFU sample. The counter-rotators tend to located in small groups. The gaseous counter-rotators have intermediate stellar masses and and located in the green valley and red sequence of the colour–magnitude diagram. The average vertical extents of the stellar and ionized gas discs are the same as for the rest of the sample while their radial gas and stellar distributions are more centrally concentrated. This may point at angular momentum loss during the formation process of the counter-rotating discs. The counter-rotators have low gas and dust content, weak emission-line strengths, and low star formation rates. This suggests that the formation of counter-rotators may be an efficient way to quench galaxies. One counter-rotator, SDSS J080016.09+292817.1 (Galaxy F), has a post-starburst region and a possible AGN at the centre. Another counter-rotator, SDSS J131234.03+482159.8 (Galaxy H), is identified as a potential ongoing galaxy interaction with its companion satellite galaxy, a gas-rich spiral galaxy. This may be representative case of a gaseous counter-rotator forming through a merger origin. However, tidal distortions expected in mergers are only found in a few of the galaxies and we cannot rule out direct gas accretion as another formation mechanism.

Beom, Minje↗
DOE OSTI2022

Estimating the energy requirement for hydrogen production in proton exchange membrane electrolysis cells using rapid operando hydrogen crossover analysis

Hydrogen (H 2 ) crossover in proton exchange membrane water electrolyzers refers to the process by which hydrogen produced at the cathode traverses the membrane and mixes with the oxygen produced at the anode. This phenomenon reduces efficiency and may pose flammability hazards. In this work we present a method for quantifying the H 2 content of the anode exhaust gas using a gas chromatograph that is capable of sampling data every 2 min. Subsequent theory is presented to calculate the crossover flux, overall H 2 efficiency, and H 2 energy requirements. Results the effects of membrane thickness using Nafion TM N117 (178 um) and Nafion TM NR212 (51 um) membranes. Furthermore, it was found that thinner membranes lead to improved VI performance but exhibit higher crossover rates. Despite their increased crossover, leading to decreased hydrogen efficiency, the calculated required energy for NR212 membrane-electrode assemblies (MEAs) was significantly lower than that of N117 MEAs.

08 HYDROGEN↗
DOE OSTI2022

Simulation of dilatancy-controlled gas migration processes in saturated bentonite using a coupled multiphase flow and elastoplastic H 2 M model

Dilatancy-controlled gas flow in preferential pathways plays a key role in the safety analysis of radioactive waste repositories. This is particularly the case for bentonite, an often-preferred barrier material. Gas flow in preferential pathways is characterized by localization and spontaneous behavior, which is challenging to simulate in numerical models due to strong hydro-mechanical coupling. To analyze a laboratory experiment in the framework of the DECOVALEX-2023 project, this study introduced a new approach of combining continuous modelling methods with spatial material properties derived from material heterogeneities and experimental observations. The proposed model utilized hydro-mechanical spatial distributions, namely Young's modulus and gas entry pressure, and elastoplasticity combined with a linear swelling model. A conceptual strain-dependent permeability approach simulated dilatancy-controlled gas flow based on hydro-mechanical coupling. To test the effectiveness of the presented approach, a gas injection test in a compacted, saturated bentonite sample was simulated using the open-source code OpenGeoSys 5.8 and compared with experimental observations. The presented methodology is capable of simulating localized gas flow in preferential pathways. The spatial distributions of Young's modulus and gas entry pressure affect the swelling pressure, relative permeability and, in combination with the strain-dependent permeability model, also the intrinsic permeability.

42 ENGINEERING↗
DOE OSTI2023

Mechanism of Stoichiometrically Governed Titanium Oxide Brownian Tree Formation on Stepped Au(111)

Previously observed formation of substoichiometric titanium oxide dendritic structures across terraces of Au(111) is computationally studied and shown to follow the classical fractal formation mechanism of diffusion-limited aggregation (DLA). Globally optimized gas-phase oxide cluster structures are sampled in a variety of landing formations on gold surfaces and shown to favor isomers driving polymerization to Brownian tree fractal structures. Mobility of Ti 3 O 5 monomers is shown to be extremely high, with diffusion barriers of 0.21 eV or less. Through bonding stabilization, polymerization of these monomers is energetically favorable and irreversible on the 111 terrace but geometrically impossible to propagate along the step edge. Simulated scanning tunneling microscopy (STM) images show strong similarity to experiment. By contrast, observation of Ti 3 O 6 aggregating as wires along step edges is explained by the affinity of oxygen to step edges and statistical arguments for aggregation entropy at the step, in addition to low barriers for monomer diffusion and polymerization.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Carbon flux measurements from chambers collected between April to October 2023 at Old Woman Creek, Huron, Ohio

This dataset contains carbon dioxide and methane gas flux measurements collected via chamber sampling at Old Woman Creek National Estuarine Research Reserve in Huron, OH. These data were generated to understand temporal and vegetation patterns associated with wetland carbon cycling. Specifically, this dataset intends to answer how carbon dioxide and methane fluxes change monthly and hourly across sites with vegetation and without vegetation. Data includes chamber measurements that were measured in both sites with vegetation and without vegetation and that were collected hourly (7 AM to 7 PM or 5 AM to 10 PM and monthly (April to October). The file soilrespiration_data23.csv contains these data, and the metadata file (soilrespiration_chammetadata23.csv) and location metadata file (soilrespiration_locationmetadata23.csv) have information on locations where the chambers were placed and sampled in the wetland. Data processing was done on raw methane fluxes (Flux_CH4) to remove the influence of ebullition (Flux_CH4_ebullition) to get a diffusive flux (Flux_CH4_diffusive).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Leaf gas exchange and fitted parameters, two sites in Panama, 2022

Photosynthetic CO2 response curves (ACi curves), light response curves (AQ curves), dark adapted dark respiration, conductance curves, and survey measurements for leaves measured in the Parque Natural Metropolitano (PNM) and Gamboa, Panama, from January to April 2022 are presented. Measurements were made on leaves from 46 different tree, shrub and liana species, from sunlit canopy and understory locations. Leaf area index from 8 vertical profiles at PNM are also included. The aim of this measurement campaign was three-fold: (i) to improve our understanding of the vertical variation in leaf-level water use efficiency; (ii) to develop an understanding of the sensitivity of stomata to changes in environmental conditions, especially light, humidity, and temperature; (iii) to improve models which can predict leaf traits from leaf contact spectral measurements. All the gas exchange data and metadata are presented in .csv files and complete instrument output are included in .zip folders. Data and metadata meet the ESS-DIVE leaf-level gas exchange reporting format requirements. The protocol details are provided as pdf documents. In addition to gas exchange data reported here these samples were also used for measurement of leaf optical properties, carbon and nitrogen content, and leaf mass per unit leaf area (LMA). These data can be cross linked using the unique sample ID and are provided in separate data packages.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

NMDQi Thermal-hydraulic Optimization, Analysis, and Scoping Tool (TOAST)

The Thermal-hydraulic Optimization, Analysis, and Scoping Tool (TOAST) is developed to support the thermal-hydraulic aspects for the design of optimal irradiation vehicles for the Nuclear Materials Discovery and Qualification initiative (NMDQi). TOAST is currently a MATLAB-based tool that utilizes a simplified steady-state analytical model where a radial thermal resistance circuit is utilized to account for conduction through up to 2 capsules, a gas gap, a thermal bond, a sample cladding, and a sample, as well as the convection from a water coolant outside the capsules. The geometry is discretized axially along the user-defined height of a basket with a user-defined number of points/nodes, essentially turning TOAST into a semi-2D heat transfer analysis utility for cylindrical irradiation vehicles with practically any configuration, solving for temperatures radially at multiple axial locations. TOAST utilizes a Graphical User Interface (GUI) in-which a user can define the geometrical layout, the materials utilized for each component, the coolant characteristics, and the required solution. The user can define the geometry by inputting the diameters, thicknesses, and heights for each component, whereas the materials are defined via the user-provided constant or variable thermal conductivities. The user can select the coolant's inlet temperature, pressure, and the pressure drop across the height of the problem (which is used to calculate the velocity of the flow). Finally, the user can choose to solve for a sample heat generation rate limit by inputting temperature limits for the sample and capsules or can choose to purely solve for the axial temperature distributions of each component by inputting a pre-selected heat generation rate. Either way, TOAST provides the user with axial temperature distributions of all the components including the coolant, and the heat generation rate limit as well as the maximum outlet coolant temperature. The user can also choose to do one of 6 sensitivity analyses in TOAST. The sensitivity analyses yield plots of the sensitivity of the heat generation rate limit, the maximum coolant temperature, and the pressure limit for the annular components due to perturbations in 1-2 unknown variables based on the selected sensitivity analysis. Benchmarks between computations in TOAST and equivalent 2D axis symmetric ABAQUS models are presented, showing that TOAST results are within less than 3% of ABAQUS results in most cases, and a maximum of 8% difference in some cases. The benchmarks also revealed that this uncertainty is tied to the selection of an appropriate Nusselt number correlation and appropriate thermal conductivities, which the user can do from the GUI. Regardless, TOAST is demonstrated as a computationally efficient, highly accessible, and accurate utility for optimization and scoping s of studies different irradiation vehicles.

42 ENGINEERING↗
DOE OSTI2022

Analysis of Defense Waste Processing Facility Sample: Slurry Mix Evaporator Condensate Tank Sample Batch 4638

The Savannah River National Laboratory (SRNL) was requested by Savannah River Remediation (SRR, now Savannah River Mission Completion (SRMC)), through a Technical Task Request, to characterization the “as-received” Slurry Mix Evaporator Condensate Tank (SMECT) sample identified as sample batch 4638, which was delivered to SRNL Shielded Cells on March 19, 2021. The SMECT characterization data will be used as input to the Defense Waste Processing Facility (DWPF) Recycle Diversion Project. This SMECT report is the second of three sample characterization reports that will be used for this DWPF Project. The other two DWPF characterization reports involve the characterization of the Recycle Collection Tank (RCT) sample and the future Off-Gas Condensate Tank (OGCT) characterization report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Interrogating organo-mineral interactions by Py-GC/MS and ToF-SIMS

Soil organic matter (SOM) is crucial to soil fertility and agricultural sustainability in the face of climate change, and organo-mineral interactions are a key mechanism for stabilizing SOM. The stability of mineral-associated organic matter (MAOM) can be approximated by the strength of bonds between biomolecules and mineral surfaces. We hypothesized that factors such as mineral reactivity and solution pH would impact bonding strength. To test these factors, sorption isotherms were performed on minerals differing in particle size, morphology, and reactivity (quartz, goethite, gibbsite, kaolinite, montmorillonite), under two pH conditions (4 and 6), and across a range of tannic acid concentration (0-1400 ppm). The quantity and quality of organo-mineral bonds was assessed by quantifying post-sorption solution compounds using an absorbance plate reader and assessing the thermal energy needed to break bonds using evolved gas analysis (EGA) on a pyrolysis gas chromatograph-mass spectrometer (Py-GC/MS). Organo-mineral surfaces were also interrogated using Time-of-flight secondary ion mass spectrometry (ToF-SIMS). Sorption experiments revealed an asymptotic relationship between sorbed tannic acid and increasing initial concentrations which suggests our concentration range saturated available mineral surfaces. Results indicated that mineral identity, chiefly surface area and native pH, impacted the amount of compound sorbed to mineral surfaces. Evolved gas analyses of organo-mineral samples uncovered increased thermal stability of sorbed compounds compared to our tannic acid standard particularly on the iron oxide, goethite. ToF-SIMS revealed that goethite surface ions were covered by increasing concentrations of adsorbed tannic acid with the replacement of chlorine and sulfate ions by tannic acid related ions. Our results indicate that Py-GC/MS and ToF-SIMS are useful techniques to determine the nature and strength of organo-mineral bonds and are steppingstones to understanding controls on carbon sequestration in terrestrial systems.

58 GEOSCIENCES↗