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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.

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At least 181 records · Page 10

Global evaluation of terrestrial biogeochemistry in the Energy Exascale Earth System Model (E3SM) and the role of the phosphorus cycle in the historical terrestrial carbon balance

Abstract. The importance of carbon (C)–nutrient interactions to the prediction of future C uptake has long been recognized. The Energy Exascale Earth System Model (E3SM) land model (ELM) version 1 is one of the few land surface models that include both N and P cycling and limitation (ELMv1-CNP). Here we provide a global-scale evaluation of ELMv1-CNP using the International Land Model Benchmarking (ILAMB) system. We show that ELMv1-CNP produces realistic estimates of present-day carbon pools and fluxes. Compared to simulations with optimal P availability, simulations with ELMv1-CNP produce better performance, particularly for simulated biomass, leaf area index (LAI), and global net C balance. We also show ELMv1-CNP-simulated N and P cycling is in good agreement with data-driven estimates. We compared the ELMv1-CNP-simulated response to CO2 enrichment with meta-analysis of observations from similar manipulation experiments. We show that ELMv1-CNP is able to capture the field-observed responses for photosynthesis, growth, and LAI. We investigated the role of P limitation in the historical balance and show that global C sources and sinks are significantly affected by P limitation, as the historical CO2 fertilization effect was reduced by 20 % and C emission due to land use and land cover change was 11 % lower when P limitation was considered. Our simulations suggest that the introduction of P cycle dynamics and C–N–P coupling will likely have substantial consequences for projections of future C uptake.

54 ENVIRONMENTAL SCIENCES↗

Techno-Economic Analysis of a Cryogenic Flux Capacitor for Grid Storage

Abstract The Cryogenic Flux Capacitor (CFC) is a cold, dense fluid storage core with integrated design features that afford the designer flexibility and provide new possibilities for the storage and discharge of energy. The stored energy, in this case, is represented by hydrogen physically bonded within the nanoscale pores within the aerogel composite blanket material, and the process of bonding or debonding is governed by principles of physical adsorption (physisorption) and thermodynamics. The large surface area afforded by the nanoporous aerogel (∼1,000 m2/g) allows for storage densities close to, or in some cases exceeding, that of normal boiling point liquids. Its performance easily exceeds what can be achieved via ambient temperature, high-pressure gas storage for an equivalent volume. CFC storage is predicted to be easily scalable, is constructed from readily available commercial materials, lends itself to a range of pressure applications, and is geometry insensitive. The high energy density of CFC-stored hydrogen allows long durations of storage, such as daily to monthly cycling, which corresponds to approximately 10 to 100 hours of duration, respectively. The techno-economic analysis examines different types of hydrogen storage for commercial viability. The assessment includes the use of hydrogen blended with natural gas in a combined cycle gas turbine. The study provides results for a range of blends from 100% natural gas to 100% hydrogen. The required fuel usages are estimated for the intended application in a grid scenario that features large amounts of renewable penetration, 10 hours, and as a baseload, 100 hours. The study presents preliminary estimates of the capital cost of storage and operating cost of storage. In addition, the cost of firing natural gas and capturing the carbon dioxide (CO2) in a carbon capture and sequestration (CCS) system is assessed. Based on the study, it is shown that CFC can competitively meet performance and cost needs for grid-based energy storage.

08 HYDROGEN↗

National CO 2 budgets (2015–2020) inferred from atmospheric CO 2 observations in support of the global stocktake

Accurate accounting of emissions and removals of CO 2 is critical for the planning and verification of emission reduction targets in support of the Paris Agreement. Here, we present a pilot dataset of country-specific net carbon exchange (NCE; fossil plus terrestrial ecosystem fluxes) and terrestrial carbon stock changes aimed at informing countries' carbon budgets. These estimates are based on “top-down” NCE outputs from the v10 Orbiting Carbon Observatory (OCO-2) modeling intercomparison project (MIP), wherein an ensemble of inverse modeling groups conducted standardized experiments assimilating OCO-2 column-averaged dry-air mole fraction (X CO 2 ) retrievals (ACOS v10), in situ CO 2 measurements or combinations of these data. The v10 OCO-2 MIP NCE estimates are combined with “bottom-up” estimates of fossil fuel emissions and lateral carbon fluxes to estimate changes in terrestrial carbon stocks, which are impacted by anthropogenic and natural drivers. These flux and stock change estimates are reported annually (2015–2020) as both a global 1° x 1° gridded dataset and a country-level dataset and are available for download from the Committee on Earth Observation Satellites' (CEOS) website. Across the v10 OCO-2 MIP experiments, we obtain increases in the ensemble median terrestrial carbon stocks of 3.29–4.58 Pg CO2 yr -1 (0.90–1.25 Pg C yr -1 ). This is a result of broad increases in terrestrial carbon stocks across the northern extratropics, while the tropics generally have stock losses but with considerable regional variability and differences between v10 OCO-2 MIP experiments. We discuss the state of the science for tracking emissions and removals using top-down methods, including current limitations and future developments towards top-down monitoring and verification systems.

54 ENVIRONMENTAL SCIENCES↗

Experimental and Computational Heat Transfer Study of sCO2 Single Jet Impingement

The present study experimentally investigates the heat transfer capability of supercritical carbon dioxide (sCO2) single-jet impingement. The evaluated jet Reynolds number range is between 80,000 and 1,000,000, with a non-dimensional jet-to-target surface spacing of 2.8. CO2- impinging jet stagnation conditions were maintained at approximately 20 MPa and a temperature of 673 K for most experiments. The goal is to understand how changes in the aforementioned parameters influence heat transfer between the working fluid and the heated surface. Additionally, due to the elevated Reynolds numbers and difference in thermodynamic properties between air and CO2, air-derived impingement correlations may not be appropriate for CO2 impingement; these correlations will be evaluated against experimental sCO2 impingement data. At the time of this study, no sCO2 impingement data was available relevant to sCO2 power cycles. The target surface is a 1.5-inch diameter copper block centered on the 3mm jet orifice. A mica heating element bolted to the bottom of the copper block provides a uniform heat flux. Thermocouples embedded in the copper block are used to determine the surface temperature. Nusselt numbers obtained from experimental sCO2 data are compared to area-averaged Nusselt numbers from air-derived correlations. The comparisons showed that air correlations drastically underpredict the heat transfer when sCO2 is used as the working fluid. A modified sCO2 correlation using experimental data at discussed conditions is derived based on an existing air correlation.

Richardson, John↗

Carbonate Minerals and Dissimilatory Iron-Reducing Organisms Trigger Synergistic Abiotic and Biotic Chain Reactions under Elevated CO 2 Concentration

Increasing CO 2 emission has resulted in pressing climate and environmental issues. While abiotic and biotic processes mediating the fate of CO 2 have been studied separately, their interactions and combined effects have been poorly understood. To explore this knowledge gap, an iron-reducing organism, Orenia metallireducens, was cultured under 18 conditions that systematically varied in headspace CO 2 concentrations, ferric oxide loading, and dolomite (CaMg(CO 3 ) 2 ) availability. The results showed that abiotic and biotic processes interactively mediate CO 2 acidification and sequestration through "chain reactions", with pH being the dominant variable. Specifically, dolomite alleviated CO 2 stress on microbial activity, possibly via pH control that transforms the inhibitory CO 2 to the more benign bicarbonate species. The microbial iron reduction further impacted pH via the competition between proton (H + ) consumption during iron reduction and H + generation from oxidization of the organic substrate. Under Fe(III)-rich conditions, microbial iron reduction increased pH, driving dissolved CO 2 to form bicarbonate. Spectroscopic and microscopic analyses showed enhanced formation of siderite (FeCO 3 ) under elevated CO 2 , supporting its incorporation into solids. In conclusion, the results of these CO 2 -microbe-mineral experiments provide insights into the synergistic abiotic and biotic processes that alleviate CO 2 acidification and favor its sequestration, which can be instructive for practical applications (e.g., acidification remediation, CO 2 sequestration, and modeling of carbon flux).

54 ENVIRONMENTAL SCIENCES↗

Fossil fuel CO 2 emissions over metropolitan areas from space: A multi-model analysis of OCO-2 data over Lahore, Pakistan

Urban areas, where gathering more than 55% of the global population, alone contributed to more than 70% of anthropogenic fossil fuel carbon dioxide (CO 2ff ) emissions. Accurate quantification of CO 2ff emissions from urban areas is of great importance to the formulation of global warming mitigation policies to achieve carbon neutrality by 2050. Satellite-based inversion techniques are unique among “top-down” approaches, potentially allowing us to track CO 2ff emission changes over cities globally. However, its accuracy is still limited by incomplete background information, cloud blockages, aerosol contaminations, and uncertainties in models and emission inventories used as prior. To evaluate the current potential of space-based quantification techniques, we present the first attempt to monitor long-term changes in CO 2ff emissions based on the OCO-2 satellite measurements of column-averaged dry-air mole fractions of CO 2 (X CO2 ) over a fast-growing Asian metropolitan area: Lahore, Pakistan. We first examined the OCO-2 data availability at global scale. About 17% of OCO-2 soundings are marked as high-quality soundings by quality flags over the global 70 most populated cities over the period 2014-2019. Cloud blockage and aerosol contamination are the two main causes of data loss. As an attempt to recover additional soundings, we evaluated the effectiveness of OCO-2 quality flags at the city level by comparing three flux quantification methods (WRF-Chem, X-STILT, and flux cross-sectional integration method), all based on the Open-Data Inventory for Anthropogenic Carbon dioxide (ODIAC) product. The satellite/bottom-up emissions (OCO-2/ODIAC) ratios of the high-quality tracks better converged across the three methods compared to the all-data tracks with reduced uncertainties in emissions. Thus, OCO-2 quality flags are useful filters of low-quality OCO-2 retrievals at local scales, although originally designed for global-scale studies. All three methods consistently suggested that the ratio medians are greater than 1, which implies that the ODIAC slightly underestimated the CO2ff emissions over Lahore. Additionally, our estimation of the a posteriori CO2ff emission trend was about 734 kt C/year (i.e., an annual 6.7% increase). 10,000 Monte Carlo simulations of the Mann-Kendall upward trend test showed that less than 10% prior uncertainty for 8 tracks (or less than 20% prior uncertainty for 25 tracks) is required to achieve a greater-than-50% trend significant possibility at a 95% confidence level. It implies that the trend is driven by the prior and not due to the assimilation of OCO-2 retrievals. The key to improving the role of satellite data in CO 2 emission trend detection lies in collecting more frequent high-quality tracks near metropolitan areas to achieve significant constraints from X CO2 retrievals.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Integrating Aquatic Metabolism and Net Ecosystem CO2 Balance in Short- and Long-Hydroperiod Subtropical Freshwater Wetlands

Abstract How aquatic primary productivity influences the carbon (C) sequestering capacity of wetlands is uncertain. We evaluated the magnitude and variability in aquatic C dynamics and compared them to net ecosystem CO 2 exchange (NEE) and ecosystem respiration ( R eco ) rates within calcareous freshwater wetlands in Everglades National Park. We continuously recorded 30-min measurements of dissolved oxygen (DO), water level, water temperature ( T water ), and photosynthetically active radiation (PAR). These measurements were coupled with ecosystem CO 2 fluxes over 5 years (2012–2016) in a long-hydroperiod peat-rich, freshwater marsh and a short-hydroperiod, freshwater marl prairie. Daily net aquatic primary productivity (NAPP) rates indicated both wetlands were generally net heterotrophic. Gross aquatic primary productivity (GAPP) ranged from 0 to − 6.3 g C m −2 day −1 and aquatic respiration ( R Aq ) from 0 to 6.13 g C m −2 day −1 . Nonlinear interactions between water level, T water , and GAPP and R Aq resulted in high variability in NAPP that contributed to NEE. Net aquatic primary productivity accounted for 4–5% of the deviance explained in NEE rates. With respect to the flux magnitude, daily NAPP was a greater proportion of daily NEE at the long-hydroperiod site (mean = 95%) compared to the short-hydroperiod site (mean = 64%). Although we have confirmed the significant contribution of NAPP to NEE in both long- and short-hydroperiod freshwater wetlands, the decoupling of the aquatic and ecosystem fluxes could largely depend on emergent vegetation, the carbonate cycle, and the lateral C flux.

Malone, Sparkle L.↗

NREL's Capabilities in Organism Development and Fermentation Sciences Research and Development (R&D)

NREL is developing robust microbial strains and scalable fermentation technologies for converting biomass sugars to fuels and biochemicals, and one-carbon (C1) gaseous substrates (e.g., CO2, CO, CH4) to high-value products. Core capabilities include: (1) Fermentation optimization of aerobic, microaerophilic, and anaerobic cultivation processes of gas and traditional liquid fermentation R&D; (2) Gas mass transfer R&D and CFD modeling for improved reactor design and gas mixing (3) Metabolic engineering in CRISPR editing tools to improve titer, rates, and yields; (4) Probing and optimizing carbon, redox, and energy flux using transcriptomics and fluxomic techniques; and (5) Consolidated bioprocessing (CBP) using cellulose and hemicellulose directly to minimize pretreatment.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS,SYNTHETIC ↗

Thermal-Hydraulic Performance of a Zeotropic Refrigerant in a Brazed Plate Evaporator

In this work we report the results of a preliminary investigation focused on evaluating the thermal-hydraulic performance of R455A (CO2, R32, R1234yf – 3/21.5/75.5) in a commercial brazed plate heat exchanger. Three key parameters were measured which were refrigerant flow maldistribution, overall refrigerant side heat transfer coefficient, and total refrigerant side pressure drop. These same parameters were also measured for R134a which served as a base-line refrigerant for comparison. The experimental test matrix was set up to investigate the influence of refrigerant mass flux (3 ≤ Gref ≤ 5 kg m-2 s-1), refrigerant inlet vapor quality (0.1 ≤ xin ≤ 0.4), and refrigerant exit superheat (5 ≤ Tsh ≤ 10 K) on the above mentioned thermal-hydraulic parameters. For these experimental conditions, on average, the overall refrigerant side heat transfer coefficients for R455A were 45.2% lower than those of R134a. Refrigerant flow maldistribution for R455A, on average, was observed to be 62.6 % higher than that measured for R134a, and the total pressure drop across the heat exchanger (minor and frictional losses) for R455A was on average 26.5% higher than that measured for R134a. These initial results set the stage for a comprehensive investigation focused on further investigating the thermal-hydraulic performance of zeotropic refrigerants in brazed plate heat exchangers.

Jajja, Saad [ORNL]↗

COMPASS-FME Terrestrial Ecosystem Manipulation to Probe the Effects of Storm Treatments (TEMPEST) Soil Greenhouse Gas Fluxes 04/2020-06/2024

Both raw and processed data measured using a LI-COR 7810 Greenhouse Gas Analyzer in the TEMPEST experiment, part of COMPASS-FME (https://compass.pnnl.gov/FME/COMPASSFME), at Smithsonian Environmental Research Center. This ecosystem-scale experiment probes the effects of saltwater versus freshwater flooding in a coastal deciduous forest.The data consist of both concentrations and fluxes of carbon dioxide and methane measured using static chambers on the soil surface, approximately every two weeks from early 2020 to mid 2024. Some of the measurement points are controls, and some subject to root-exclusion techniques; all measurements are embedded in the TEMPEST control, freshwater, and saltwater plots (see Hopple et al. 2023). These data were generated to understand changing soil greenhouse gas (CO2 and CH4) production and consumption. File types are comma-separated value (.csv) for data, and markdown (.md) for supplementary information.

54 ENVIRONMENTAL SCIENCES↗

Bridging Land-Surface Fluxes and Aerosol Concentrations to Triggering Convective Rainfall

During the period August 24-28, 2016, a delayed component the GO-Amazon Project, we launched nine altitude-controlled free balloons (CMET). Smaller than typical rawinsondes, CMET are equipped with altitude control, global communication via Iridium satellite, and aspirated sensors. The aims of our effort were to examine the interactions among convective boundary layer and dual river breeze circulations near the confluence of the Tapajos and Amazon Rivers in the eastern Basin. The week-long field campaign was timed to examine the reestablishment of the breeze circulations shortly after the passage of a strong instability line on August 22. Nine CMET were launched at the Curua-Una hydroelectric dam (2.8S; 54.3W), timed to encounter the Tapajos river breeze front by late afternoon. Soundings were made to establish the thickness of interface between the easterly trade and westerly Tapajos breeze circulation. Careful use of sounding strategies allowed these free balloons to track along the northerly channeled flow in the lowest 300 m above the River. Following the river encounter, balloons tracked to the west, sounding to describe the diurnal course of boundary layer in the forest west of the Tapajos River. The longest flight traveled more than 770 km over three days and twice rested overnight in the rain forest canopy. Ancillary data from surface climate and flux stations as well as the Santarem radiosonde, satellite images will be used to illustrate how the breeze circulations are seen near the surface and how they were disrupted by larger-scale events. Comparisons with HYSPLIT trajectories illustrate how sensitive real trajectories are to the refraction that the encounter with the breeze effects. A second effort was intensive analyses of data from the eddy flux tower at the Tapajós National Forest near Santarém Pará Brazil, with special emphasis on the role of clouds and canopy presence on light absorbance and photosynthetic activity.

54 ENVIRONMENTAL SCIENCES↗

Effect of Formation Heterogeneity on CO 2 Dissolution in Subsurface Porous Media

Dissolution trapping is one of the most dominant mechanisms for the secure storage of CO 2 injected in porous subsurface formations saturated with brine. This trapping mechanism is enhanced by convective mixing, which occurs due to the gravitational instability between the different fluid layers in the aquifer. The reservoir permeability also plays a crucial role in the dissolution rate and overall fluid flow dynamics during the density-driven convection in porous media. Herein this study investigates the role of complex heterogeneity, i.e., irregular permeability distribution in CO 2 dissolution, using a novel experimental approach to create medium permeability heterogeneity in Hele–Shaw cells. Complex subsurface transport phenomena such as a preferential dissolution path, CO 2 sweep efficiency, changes in finger morphology, and CO 2 concentration distribution are visualized by creating heterogeneous media. Experimental results showed that reservoir permeability heterogeneity causes significant channeling effects and poor sweep efficiency. A scaling relationship between average finger growth rate (Gr) and permeability (k) was obtained as Gr [m s –1 ] = 266.8k [m 2 ] + 1.20 × 10 –6 . Furthermore, the mass of CO 2 dissolved is calculated using the spectrophotometric method to characterize the convective instability. The convective flux was analyzed by comparing the experimental dissolution flux with the theoretical diffusion flux, calculating a maximum Sherwood number of 6.8. The study’s findings improve the current understanding of the CO 2 convection morphology in heterogeneous media, allowing better assessment of long-term CO 2 storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Critical adjustment of land mitigation pathways for assessing countries' climate progress

Collective progress towards the Paris Agreement’s temperature targets will be assessed by the Agreement’s Global Stocktake process. Global emission pathways by Integrated Assessment Models (IAMs) are a likely benchmark against which aggregated countries’ greenhouse gas mitigation pledges will be assessed. However, this approach requires comparability, which is currently hampered by a 5 GtCO2yr-1 mismatch between the estimated global land anthropogenic flux of IAMs and countries’ GHG inventories (GHGIs) for 2005-2015. We show that this gap is mostly the result of differences in how the anthropogenic forest sink is defined. Countries define managed forest more broadly than IAMs, and on this larger area typically consider anthropogenic also fluxes due to human-induced environmental change, which IAMs do not include their pathways. Using five IAMs and a dynamic global vegetation model (DGVM), we present and apply a novel method that adjusts IAM results to the countries’ definition, closing the gap with GHGIs at global and regional scale. When expressed in a way compatible with GHGIs, adjusted 1.5°C and well-below 2°C pathways have a cumulative CO2 balance until carbon neutrality that is 110–176 GtCO2 lower than the original IAMs pathways. The use of these country-compatible emission pathways under the Global Stocktake would therefore be essential for an accurate assessment of the collective progress towards the Paris Agreement’s climate goals.

Grassi, Giacomo↗

Parameterizing Perennial Bioenergy Crops in Version 5 of the Community Land Model Based on Site‐Level Observations in the Central Midwestern United States

Abstract With projected expansion of biofuel production at a global scale, there is a pressing need to develop adequate representation of bioenergy crops in land surface models to help effectively quantify the biogeophysical and biogeochemical effects of its associated land use changes. This study implements two new perennial bioenergy crops, Miscanthus and switchgrass, into the Community Land Model Version 5 based on site‐level observations from the midwestern United States by modifying parameters associated with photosynthesis, phenology, allocation, decomposition, and carbon cost of nitrogen uptake and integrating concomitantly land management practices. Sensitivity analyses indicate that carbon and energy fluxes of the perennial crops are most sensitive to photosynthesis and phenology parameters. Validation of simulated fluxes against site‐level measurements demonstrates that the model is capable of capturing the overall patterns of energy and carbon fluxes, as well as physiological transitions from leaf emergence to senescence. Compared to annual crops, perennial crops feature longer growing season, greater leaf areas, and higher productivity, leading to increased transpiration, lower annual runoff, and larger carbon uptake. The model simulations suggest that with higher CO 2 assimilation rates and lower demands for nutrients and water, high‐yielding perennial crops are promising alternatives of bioenergy feedstocks compared to traditional annual crops not only for mitigating climate change but also for environmental conservation purposes by reducing fertilizer application and therefore alleviating surface‐ and ground‐water contaminations. Although the local‐scale simulations shed light on potential benefits of using perennial grasses as bioenergy feedstocks, quantifying consequences of their plantations at larger scales warrants additional investigation.

Cheng, Yanyan↗

Solar Heat for Industrial Processes: Integration with Chemical Reactors

The integration of solar thermal systems with chemical reactors has been proposed as part of a larger effort to develop and deploy solar heat for industrial processes (SHIP) technologies. A strong motivation for SHIP processes and technologies is the potential for high thermal efficiency coupled with low-cost thermal energy storage (TES) which can enable commercial deployment of such systems. While there are different ways to categorize SHIP technologies, one important such distinction is between directly irradiated systems and indirect off-sun process driven by a SHIP system. While directly irradiated systems can provide high thermal efficiencies and high fluxes, they usually require complex engineering solutions due to the need for redesigning the established processes and unit operations. In most cases, it is also more challenging to couple such a process to a TES system, losing some of the benefits of SHIP. On the other hand, using a SHIP system to drive an industrial process off-sun can allow better integration with existing process chains, easier TES capabilities, and potential for more applications fitting a specific SHIP technology. However, the integration of SHIP systems with the industrial processes is not fully explored in detail, especially in the case of high-temperature processes such as reforming, cracking, cement manufacturing, and iron/steelmaking. Many of these systems require heating fluxes of >50 kW/m^2, supplied via combustion of hydrocarbons in a fire box and benefitting from radiative heat transfer between the flue gases and the reaction zones. As such, using SHIP systems for such processes is more complex than providing the same thermal input in the form of a heat transfer medium (HTM) entering the reactor, kiln, or furnace. Moreover, in case convective heat transfer using SHIP is envisioned, for example using supercritical CO2 as the HTM from a particle receiver, the thermal integration might be more challenging than initially envisioned: lower heat transfer coefficients and limited approach temperature might require large flow rates, causing a mismatch between the process thermal requirements and the thermal capacity of the SHIP system. In addition, even if the heat exchange between SHIP and reactor is effective, there is still a cold leg HTM at the reaction temperature or slightly below it. Chemical plants usually include a set of heat exchangers, heat recovery steam generators, and even power generation units - in a tightly integrated design - to recover the flue gases which are eventually vented. With SHIP systems mostly operating on a closed HTM loop, bottoming the cold leg is crucial. In this talk, we will present different modeling results for a variety of syngas production reactions, using catalytic and chemical looping processes, and discuss some of the challenges and design considerations for off-sun chemical reactors using SHIP systems.

14 SOLAR ENERGY↗

The importance of accounting for landscape position when investigating grasslands: A multidisciplinary characterisation of a Californian coastal grassland

Data from the characterisation of the Point Reyes Field Site, published in AGU Earth's Future under the title: The importance of accounting for landscape position when investigating grasslands: A multidisciplinary characterisation of a Californian coastal grassland. This paper explored the effect of landscape position on the response of a Californian grassland to seasonal changes. All files are csv files. The EMI data contains 8 csv files with a metadata csv explaining the columns. The dataset also includes soil variables including total concentrations calculated from fused samples, then dissolved and measured on ICP-AES for whole-rock elements and ICP-MS for trace elements. Mineral composition was attained using X-ray diffraction at BL 11-3 at SSRL . Data was then run through the High Score database to characterise different mineral phases. total It also includes a table with bulk soil characteristics such as soil pH, cation exchange capacity, and soil textural data. Data from Teros 12 Meter soil moisture, electrical conductivity and temperature sensors are presented in SMS Csv file. While the WL bottom and top files contain data from Piezometers measuring the ground water table. We have included a csv file that contains soil CO2 efflux data from Feb 2021-Oct 2021 in the Point Reyes Grassland Experiment We have included the spatially orientated (easting northing) remotely sensed datasets that were used in the K-means clustering analysis conducted on our site with electrical conductivity, normalised difference vegetation index, elevation, slope, solar radiation, topographic position and wetness index, and a clustering score. Finally there is a list of all the identified grassland species at the site.For more information on flux data, please contact the corresponding author.

54 ENVIRONMENTAL SCIENCES↗

Transient Catalytic Reaction Analysis Through Signal Defragmentation

The Temporal Analysis of Products (TAP) pulse response technique provides valuable insights into catalytic function and reaction kinetics. However, complex fragmentation patterns in the TAP mass spectrometry signals can complicate precise quantification, particularly when analyzing transient gas flux data typical of TAP experiments. This work demonstrates a standard defragmentation method that deconvolves transient TAP signals while maintaining the temporal resolution of the experiment. First, the integrals of calibration gas fluxes are used to determine the fingerprint fragmentation pattern and construct a fragmentation matrix. This matrix is then used to defragment experimental flux data at each recorded time point via a non-negative least squares regression. The effectiveness of this method is demonstrated using virtual data and control experiments with a TAP reactor system. The defragmentation is then applied to the more complex propane dehydrogenation reaction on a chromia/alumina catalyst, which can contain up to ten significant gas species in the reactor outlet. Initial propane pulsing reveals an induction period during which propane is fully oxidized to CO2, followed by partial reduction to CO. Afterwards, there is a transition in chemistries towards coking and propylene production. Our example illustrates a practical method for the accurate determination of the time-dependent reactant/product concentrations and rates for a thorough analysis of the propane dehydrogenation kinetics. This approach can be broadly applied to any transient mass spectrometry experiment for a better understanding of catalyst-reaction dynamics.

36 - MATERIALS SCIENCE↗