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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Cloud Fusion of Big Data and Multi-Physics Models using Machine Learning for Discovery, Exploration, and Development of Hidden Geothermal Resources

The primary goals of this project are identifying hidden geothermal resources in the USA and designing profitable enhanced geothermal systems (EGS). Many non-obvious processes and parameters could characterize geothermal resources and could control the ultimate energy potential of geothermal fields. Diverse datasets (e.g., geology, geochemistry, geophysics, satellite, airborne geophysics) are available to help characterize geothermal resources, but this data is sparse and multi-scale. This has hindered attempts to leverage the datasets for geothermal exploration and profitable EGS design. Recent advancements in machine learning (ML) give promise to overcome these issues. Modern ML methods and tools can (1) analyze large datasets, (2) assimilate model ensembles that include a multitude of inputs and outputs, (3) process sparse datasets, (4) perform transfer learning between sites with different data quality, (5) extract hidden geothermal signatures from field and simulation data, (6) label geothermal resources and processes, (7) identify high-value data acquisition targets, and (8) guide geothermal exploration and production by selecting optimal exploration, production, and drilling strategies. In this work, we implement ML-based geothermal exploration and an enhanced geothermal systems (EGS) design tool to achieve the above goals. Our exploration tool is GeoThermalCloud (GTC) EGS design tool is GeoDT-ML. GTC (github.com/SmartTensors/GeoThermalCloud.jl) utilizes a LANL unsupervised ML platform called SmartTensors (https://tensors.lanl.gov/) to automate data analyses and interpretations by extracting hidden signatures to identify geothermal prospects. It enables the identification of critical measurements needed to identify geothermal resource signatures. GeoDT-ML (github.com/SmartTensors/GeoThermalCloud.jl/tree/master/) adds coupling to GeoDT (https://github.com/GeoDesignTool/GeoDT.git) for stochastic EGS design optimization and performance prediction. GeoDT-ML leverages recent advances in deep learning and high-performance computing. Contributors to this effort include LANL, PNNL, Google, Stanford, and Julia Computing.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Shaping the Future of Self-Driving Autonomous Laboratories Workshop

The "Shaping the Future of Self-Driving Autonomous Laboratories" workshop, held in Denver on November 7-8, 2024, brought together leading experts from materials science and computing to address the growing need to revolutionize scientific research through AI-driven autonomous laboratories. The workshop identified critical challenges, including the integration of heterogeneous data, development of AI systems that understand fundamental physical principles, and comprehensive safety protocols. Key recommendations emerged around developing universal laboratory equipment interfaces, implementing automated metadata collection systems, and creating hybrid AI approaches that combine data-driven learning with scientific principles. The workshop emphasized maintaining human oversight while leveraging automation, transforming scientific education to prepare the next generation of researchers, and establishing a national consortium leveraging DOE facilities as anchors for broader collaboration with academia and industry. Participants stressed the urgency of addressing the growing disconnect between human decision-making timescales and modern instrumentation capabilities, highlighting the need for strategic automation while preserving essential human insight and oversight in the research process.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Machine learning-based ethylene concentration estimation, real-time optimization and feedback control of an experimental electrochemical reactor

With the increase in electricity supply from clean energy sources, electrochemical reduction of carbon dioxide (CO 2 ) has received increasing attention as an alternative source of carbon-based fuels. As CO 2 reduction is becoming a stronger alternative for the clean production of chemicals, the need to model, optimize and control the electrochemical reduction of the CO 2 process becomes inevitable. However, on one hand, a first-principles model to represent the electrochemical CO 2 reduction has not been fully developed yet because of the complexity of its reaction mechanism, which makes it challenging to define a precise state-space model for the control system. On the other hand, the unavailability of efficient concentration measurement sensors continues to challenge our ability to develop feedback control systems. Gas chromatography (GC) is the most common equipment for monitoring the gas product composition, but it requires a period of time to analyze the sample, which means that GC can provide only delayed measurements during the operation. Moreover, the electrochemical CO 2 reduction process is catalyzed by a fast-deactivating copper catalyst and undergoes a selectivity shift from the product-of-interest at the later stages of experiments, which can pose a challenge for conventional control methods. To this end, machine learning (ML) techniques provide a potential approach to overcome those difficulties due to their demonstrated ability to capture the dynamic behavior of a chemical process from data. Motivated by the above considerations, we propose a machine learning-based modeling methodology that integrates support vector regression and first-principles modeling to capture the dynamic behavior of an experimental electrochemical reactor; this model, together with limited gas chromatography measurements, is employed to predict the evolution of gas-phase ethylene concentration. The model prediction is directly used in a proportional-integral (PI) controller that manipulates the applied potential to regulate the gas-phase ethylene concentration at energy-optimal set-point values computed by a real-time process optimizer (RTO). Specifically, the RTO calculates the operation set-point by solving an optimization problem to maximize the economic benefit of the reactor. Finally, suitable compensation methods are introduced to further account for the experimental uncertainties and handle catalyst deactivation. The proposed modeling, optimization, and control approaches are the first demonstration of active control for a CO 2 electrolyzer and contribute to the automation and scale-up efforts for electrified manufacturing of fuels and chemicals starting from CO 2 .

42 ENGINEERING↗
DOE OSTI2022

A Semi-Automated Approach for Curating a Glossary of Key Terms for Open-Source Data Queries

In FY20, the Savannah River National Laboratory (SRNL) was funded by the National Nuclear Security Administration’s Office of Defense Nuclear Non-Proliferation Research and Development (NA-22) to build a machine learning based modeling pipeline that could extract proliferation events of interest from open text-based data sources. As a test case, the research team targeted the identification/fusion of events and indicators that fissile core fabrication would be executed at the Savannah River Site prior to its official announcement in May of 2018. The demonstration prototype proved successful by applying natural language processing and graph theoretical techniques to identify contextual shifts in key words and phrases that acted as indicators that pit production would be carried out at the Savannah River Site up to two years prior to the official announcement.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

VDiSC: An Open Source Framework for Distributed Smart City Vision and Biometric Surveillance Networks

Recent global growth in the interest of smart cities has led to trillions of dollars of investment toward research and development. These connected cities have the potential to create a symbiosis of technology and society and revolutionize the cost of living, safety, ecological sustainability, and quality of life of societies on a world-wide scale. Some key components of the smart city construct are connected smart grids, self-driving cars, federated learning systems, smart utilities, large-scale public transit, and proactive surveillance systems. While exciting in prospect, these technologies and their subsequent integration cannot be attempted without addressing the potential societal impacts of such a high degree of automation and data sharing. Additionally, the feasibility of coordinating so many disparate tasks will require a fast, extensible, unifying framework. To that end, we propose the Distributed Smart City framework for Vision, or VDiSC. VDiSC serves as a unified biometric API harness that allows for seamless evaluation, deployment, and simple pipeline creation for heterogeneous biometric software. VDiSC additionally provides a fully declarative capability for defining and coordinating custom machine learning and sensor pipelines, allowing the distribution of processes across otherwise incompatible hardware and networks. VDiSC ultimately provides a way to quickly configure, hot-swap, and expand large coordinated or federated systems online without interruptions for maintenance. Because much of the data collected in a smart city contains Personally Identifying Information (PII), VDiSC also provides built-in tools and layers to ensure secure and encrypted streaming, storage, and access of PII data across distributed systems.

Brogan, Joel↗
DOE OSTI2025

Integration of LIBS with Machine Learning for Real-Time Monitoring of Feedstock in H 2 Gasification Applications

This project, funded by the U.S. Department of Energy (DOE) – Office of Fossil Energy under Award Number DE-FE0032177, aimed to assess the feasibility of an integrated Laser-Induced Breakdown Spectroscopy (LIBS) system with advanced machine learning (ML) models for real-time characterization and potential control of hydrogen gasifiers running on waste materials as feedstocks. This was a multidisciplinary effort that encompassed the acquisition and standardized analysis of individual and blended feedstocks—comprising biomass, coal waste, and plastic waste, followed by the development of a dynamic LIBS bench system for material sample analysis and development of predictive ML models. Comprehensive laboratory testing enabled the creation of a robust elemental dataset that served as the foundation for ML model training. Techniques such as Random Forest, Gradient Boosting, Support Vector Regression, and Neural Networks were employed to predict key feedstock properties, including higher heating value (HHV), moisture content, thermal conductivity, and ash composition with high accuracy. The results were validated against experimental data and demonstrated strong potential for real-time application in gasifier control systems. The project concluded with a study on the integration of the LIBS+ML approach for gasifier control and a techno-economic analysis of the implementation of the approach into hydrogen (H 2 ) gasification systems. Dissemination of results was carried out at a DOE meeting. This work establishes a scalable framework for automated, in-line feedstock quality assessment, offering significant implications for process optimization and emissions reduction in hydrogen production.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Inventory Management Improvement Project

The Lawrence Livermore National Laboratory (LLNL) conducts research and development for the National Nuclear Security Agency (NNSA) and its affiliates. The Polymer AM team at LLNL conducts research and development in 3D printing, specifically direct-ink-write, in accordance with LLNL and NNSA missions. The team is composed of machine operators, chemists, testing engineers, and project engineers across multiple lab spaces with one shared storage area at LLNL. The operations use a variety of different consumables and hardware to conduct research applications for LLNL and NNSA. These items are critical to performing operation tasks; if an item is out of stock, operations associated with the respective item could be suspended for weeks. As such, the Polymer AM team manages an inventory of spare consumables and hardware to ensure these items are always available. However, the current management system, an excel sheet managed by the project engineer group, is not intuitive in providing inventory information despite the high labor utilization needed to maintain the system. As such, the team is looking to improve their inventory management that can send notifications regarding inventory needs, accessible to other team members, provide all relevant information to a specific item, and store historical information for budget and operation planning. The proposed solution is a Computer Maintenance Management System (CMMS): a web-based management software that stores inventory information and provides automated notifications. The system will store information on each item including quantity in stock, technical information, supplier information, costs, lead times, and expiration date. The system has a notifications function that can send notifications to the respective team member’s when an item needs to be counted, item inventory is low, or an item is approaching their expiration date. Information for each item can be tracked over time creating data to be used for budget planning and process improvement purposes. Due to its web-based source, the system can be accessed by the respective team member viewing technical information, quantity, and purchasing information.

42 ENGINEERING↗
DOE OSTI2022

Data and scripts associated with the manuscript "Encoding Diel Hysteresis and the Birch Effect in Dryland Soil Respiration Models through Knowledge-Guided Deep Learning"

This package contains the data and scripts used in "Encoding Diel Hysteresis and the Birch Effect in Dryland Soil Respiration Models through Knowledge-Guided Deep Learning" (Jiang et al., 2022). The data.zip file contains the flux tower and automated chamber observations used for developing the deep learning model for modeling soil respiration. The scripts.zip file contains the Jupyter notebooks and python scripts for preprocessing the data, training the deep learning models, and postprocessing the results. The src.zip contains the source code for training the deep learning model, performing mutual information analysis, and plotting functions. The trained_models.zip contains multiple folders used for hosting the trained deep-learning models and the associated soil respiration predictions. The whole process is performed using python. We include the REAMD.md to document the python package requirements.Soil respiration in dryland ecosystems is challenging to model due to its complex interactions with environmental drivers. Knowledge-guided deep learning provides a much more effective means of accurately representing these complex interactions than traditional Q10-based models. Mutual information analysis revealed that future soil temperature shares more information with soil respiration than past soil temperature, consistent with their clockwise diel hysteresis. We explicitly encoded diel hysteresis, soil drying, and soil rewetting effects on soil respiration dynamics in a newly designed Long Short Term Memory (LSTM) model. The model takes both past and future environmental drivers as inputs to predict soil respiration. The new LSTM model substantially outperformed three Q10-based models and the Community Land Model when reproducing the observed soil respiration dynamics in a semi-arid ecosystem. The new LSTM model clearly demonstrated its superiority for temporally extrapolating soil respiration dynamics, such that the resulting correlation with observational data is up to 0.7 while the correlations of both Q10-based models and the Community Land Model (CLM) are less than 0.4. Our results underscore the high potential for knowledge-guided deep learning to replace Q10-based soil respiration modules in Earth system models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Automated Scoring of Morphological Changes in Images of Pentaerythritol Tetranitrate

Recent advances in characterization techniques that generate large datasets of material microstructure images require robust, automated image-processing. We applied an unsupervised anomaly detection method called feature anomaly detection system (FADS) to automatically detect and quantify microstructure changes in images of the explosive pentaerythritol tetranitrate (PETN) aged at various temperatures. We demonstrated the FADS approach on two-dimensional images extracted from computed tomography scans, but the same technique can be readily applied to other imaging modalities. FADS calculates anomaly scores on the basis of differences in filter activations of nominal and test data in pretrained convolutional neural networks. The FADS scores successfully differentiated between pristine PETN and PETN aged at a temperature where material coarsening occurred. Morphological metric analysis of segmented images verified observed trends in FADS scores as a function of aging temperature and aging time, specifically by calculating volume fractions, specific boundary lengths, two-point correlation functions, and local thicknesses. Here, the FADS technique has two important advantages compared to traditional morphological analysis: First, it uses grayscale images as input, rather than images that are segmented to separate the appropriate phases; and second, FADS scores capture any type of changes among image sets, rather than requiring prior knowledge or selection of a relevant set of metrics.

Accelerated aging↗
DOE OSTI2020

Autonomous Tuning and Charge-State Detection of Gate-Defined Quantum Dots

Defining quantum dots in semiconductor-based heterostructures is an essential step in initializing solid-state qubits. With growing device complexity and increasing number of functional devices required for measurements, a manual approach to finding suitable gate voltages to confine electrons electrostatically is impractical. Here, we implement a two-stage device characterization and dot-tuning process, which first determines whether devices are functional and then attempts to tune the functional devices to the single or double quantum-dot regime. We show that automating well-established manual-tuning procedures and replacing the experimenter’s decisions by supervised machine learning is sufficient to tune double quantum dots in multiple devices without premeasured input or manual intervention. The quality of measurement results and charge states are assessed by four binary classifiers trained with experimental data, reflecting real device behavior. We compare and optimize eight models and different data preprocessing techniques for each of the classifiers to achieve reliable autonomous tuning, an essential step towards scalable quantum systems in quantum-dot-based qubit architectures.

Darulova, J↗
DOE OSTI2022

Effects of weave path parameters on the geometry of wire arc additive manufactured features

Here, the present work investigates the effect of process parameters on the geometry of wire arc additive manufactured parts. The geometric accuracy of features produced with a weaving strategy is compared to what can be accomplished with a typical overlapping bead strategy. In this work, single-layer and multi-layer geometries were deposited under varying process and path parameters. The wavelength, amplitude, and torch speed of the weaving path were varied, while the power, wire feed speed, and contact tip to work distance remained constant. The geometric deposition efficiencies of several samples produced with a weave strategy are directly compared to samples generated with two parallel overlapping beads with torch speeds defined to match the deposition rate of the weave samples. Feature geometries were characterized using optical microscopy and laser scanning data. The results indicate that implementing a weave path strategy can improve the geometric accuracy of wire arc additive features, thus increasing the effective volumetric deposition rate of the process. It is shown that the most consistent improvements resulted from the combination of low wavelength and high amplitude, which correlate to wider and taller printed layers.

GMAW↗
DOE OSTI2023

Sensitivity analysis of an automated fault detection algorithm for residential air-conditioning systems

The state of the art of fault detection and diagnosis (FDD) for residential air-conditioning systems is expensive and not yet amenable to widespread implementation. FDD for homes can significantly reduce utility costs, and increase the lifespan of the equipment. The cost barriers currently, however, make FDD for homes economically unviable for large scale implementation. In prior work, we offered a solution to reduce FDD costs by proposing an automated fault detection algorithm to serve as a screening step before more expensive FDD tests can be conducted. The algorithm uses only the home thermostat and local weather information to identify thermodynamic parameters and detect high-impact air-conditioning faults, including those that occur during equipment installation. We had tested the algorithm on a single EnergyPlus™ model of a home in Orlando, Florida. The thermodynamic parameter identification process is highly nonconvex involving several local optimal solutions. In this paper we propose a novel method to select the best model for fault detection from among the list of local optimal solutions to make the algorithm more robust to homes of different construction, without which the fault detection process would be infeasible. Another unique contribution of the paper is implementing the solution on real-world data. We also bring the algorithm closer to market by testing it on real-world data. We implement the algorithm on data obtained from experiments conducted by the Florida Solar Energy Center (FSEC) on a laboratory home equipped with a heat pump where faults were intentionally added for a period of seven months. The algorithm successfully detected an undercharge fault with 70.6% accuracy, concurrent duct leakage and undercharge faults with 85.2% accuracy, and duct leakage faults with 69.1% accuracy. A sensitivity analysis is also performed on EnergyPlus models of nine types of homes that vary in construction to demonstrate the robustness of the algorithm. Finally, the algorithm achieves an average accuracy of 71% for no-fault condition, 77% for 40% undercharge fault, and 76% for duct-leak fault.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Imaging mechanism for hyperspectral scanning probe microscopy via Gaussian process modelling

We investigate the ability to reconstruct and derive spatial structure from sparsely sampled 3D piezoresponse force microcopy data, captured using the band-excitation (BE) technique, via Gaussian Process (GP) methods. Even for weakly informative priors, GP methods allow unambiguous determination of the characteristic length scales of the imaging process both in spatial and frequency domains. We further show that BE data set tends to be oversampled in the spatial domains, with ~30% of original data set sufficient for high-quality reconstruction, potentially enabling faster BE imaging. At the same time, reliable reconstruction along the frequency domain requires the resonance peak to be within the measured band. This behavior suggests the optimal strategy for the BE imaging on unknown samples. Finally, we discuss how GP can be used for automated experimentation in SPM, by combining GP regression with non-rectangular scans.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Digital Rocks Portal (Digital Porous Media): Connecting data, simulation and community

Digital Rocks Portal (DRP, https://www.digitalrocksportal.org) organizes and preserves imaged datasets and experimental measurements of porous materials in subsurface, and beyond, with the mission to connect them to simulation and analysis, as well as educate the research community. We have over 150 projects represented in more than 200 publications, and an active community that reuses the data, most recently in multiple machine learning applications for automating image analysis as well as the prediction of transport. Such automation is crucial for performing formation evaluation tasks in near-real time. We present benchmark datasets that have played a role in recent machine learning prediction successes in the field. We further discuss the vision for further research advances, educational materials, as well as growth and sustainability plan of this digital rock physics community resource. In particular, we are in the process of expanding into a broader repository of engineered porous materials, specifically those for energy storage and the portal will transition to Digital Porous Media (DPM) in near future.

58 GEOSCIENCES↗
DOE OSTI2026

Benchtop Autonomous Electrochemical Characterization System for Combinatorial Thin-Film Solid Oxide Electrodes

The design of materials for electrochemical energy conversion is complicated by a vast search space of candidate materials and multifaceted property requirements: multicarrier conductivity, stability, and catalytic activity are all necessary but rarely intersect. Although self-driving laboratories are rapidly rising to address such material optimization problems, the required infrastructure for integrated, large-scale robotic facilities can be cost-prohibitive. Here we develop and evaluate a closed-loop measurement system for efficient screening of proton-conducting oxide electrodes for ceramic fuel cells and electrolyzers, building on top of an existing benchtop instrument and integrating techniques for rapid impedance measurement and automated analysis. This system exemplifies a “minimum viable” self-driving implementation that can deliver substantial benefits with relatively simple infrastructure. Combinatorial thin-film microelectrode libraries are characterized with a recently developed joint time-domain and frequency-domain impedance measurement technique, which provides an order-of-magnitude acceleration relative to conventional impedance spectroscopy. The distribution of relaxation times is extracted from impedance data and analyzed without human intervention. These results feed an active learning and Bayesian optimization process that learns to predict electrochemical impedance as a function of material composition, measurement temperature, oxygen partial pressure, and electrical bias, which further reduces the screening time by tenfold with optimized experimental sequences. We apply this system to Ba⁡(Co,Fe,Zr,Y)⁢O 3−𝛿 combinatorial libraries and evaluate its effectiveness for learning material property trends and optimizing expensive-to-evaluate properties such as activation energy. This offers insights into key methodological aspects of practical autonomous experimentation, including surrogate model validation, cost-aware acquisition functions, and high-throughput data interpretation. Our results demonstrate the efficacy of the system for rapidly gathering information, but also highlight real-world experimental challenges of thin-film degradation and numerical instability in surrogate models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

hkl-projects/ioc-hkl

HKL-IOC is an open source EPICS IOC that performs real‑time crystallographic HKL calculations for diffractometers and scattering instruments. It integrates the Python hkl library with EPICS through PyDevice, exposing HKL calculations and diffractometer geometry transformations as standard EPICS process variables. This allows beamline and laboratory control systems to convert between motor positions and reciprocal‑space coordinates, configure diffractometer geometries, and drive scans directly in HKL space. The software is written in Python and designed to run alongside existing EPICS deployments without requiring changes to core EPICS components. It is intended for use at synchrotron and neutron scattering facilities, as well as laboratory X‑ray diffractometers, where reliable and reproducible HKL calculations are needed for experiment control, data collection, and automation. HKL-IOC is distributed under the GNU General Public License v3.0 (GPL‑3.0) and contributions and extensions for additional geometries and beamlines are welcomed.

Baekey, Alex↗
DOE OSTI2024

Advancing subsurface analysis: Integrating computer vision and deep learning for the near real-time interpretation of borehole image logs in the Illinois Basin-Decatur Project

The accurate quantification and mapping of subsurface natural fracture systems using borehole imaging logs are critical for the success of CO 2 sequestration in geologic formations, optimization of engineered geothermal systems, and hydrocarbon production enhancement. However, traditional interpretation processes suffer from time-consuming procedures and human bias. To address these challenges and expedite fracture analysis, we investigated the application of integrated computer vision and DL workflows to automate image log analysis. Specifically, the design of our workflow was crafted to swiftly detect fractures and baffles by using actual electrical resistivity of borehole wall from microresistivity imaging device alongside their binary representation. This novel approach significantly reduces computational time while providing invaluable insights. By incorporating conventional logging and microseismic data, we present a regional subsurface natural fracture mapping technique. Through the minimization of human bias in image log analysis, our automated workflow achieves reduced fracture interpretation time and costs while ensuring robust and reproducible results. We demonstrated the efficacy of our approach by applying the workflow to the Illinois Basin-Decatur Project site. The automated workflow successfully identified major fractured zones, multiple baffles, and an interbedded layer with a high resolution of 0.01 ft or 0.12 in. (0.3 cm) and can be upscaled to any desired resolution. Validation through microseismic and image log interpretations allows for accurate and near-real-time mapping of fractures and baffles, significantly enhancing CO 2 pressure forecasting and postinjection site care. Our approach stands out due to its robustness, consistency, and reduced computational cost compared with alternative feature extraction technologies. It presents exciting possibilities for advancing CO 2 sequestration and engineered geothermal efforts by offering comprehensive and efficient fracture mapping solutions. This technology can contribute significantly to the optimization of CO 2 sequestration projects, facilitating sustainable environmental practices, and combating climate change.

Geochemistry & Geophysics↗
DOE OSTI2024

Generating Emissions Inventory for Carbon Capture and Storage Analysis for Carbon-Intensive Industrial Sectors

Decarbonizing the industrial sector is critical to achieve carbon dioxide (CO2) emissions reductions goals of the Biden Administration. Currently available decarbonization options include electrification, fuel switching to zero carbon fuels like green hydrogen (H2) and carbon capture and storage (CCS). Application of post-combustion carbon capture (PCCC) technology in the power sector, as well as research at the U.S. Department of Energy's Fossil Energy and Carbon Management (FECM) Office has shown that its application in the industrial sector could have co-benefits in the form of emissions reductions of non-CO2 regulated pollutants. For example, solvent based PCCC systems require pre-conditioning of flue gas to remove sulfur and particulate matter (PM) upstream of the CO2 absorber. However, there is a lack of understanding about the type of non-CO2 pollutants which can be captured and the amount of reduction possible. PCCC application differs across industrial sectors as it depends on the availability of decarbonization options, characteristics of industrial processes and the amount and composition of pollutant flows. Certain facilities can also have multiple effluent flows with or without a CO2 stream. As such, understanding industrial processes and their effluent flows in detail is required to quantify the co-benefits opportunities presented by PCCC. Considering this requirement, the goal of this analysis is to develop a high-resolution inventory of effluent flows from facilities of 8 industrial sectors in the U.S. These industrial sectors - ethanol, ammonia, cement, steel, natural gas processing, hydrogen, petroleum refining and wood and pulp products - have carbon-intensive effluent flows, and thus are prime candidates for PCCC applications. In this study, we map the composition of pollutant flow from flue stacks across the identified facilities. Using data available in three Environmental Protection Agency (EPA) databases - the Green House Gas Reporting Program (GHGRP), the National Emissions Inventory (NEI) and the Toxic Release Inventory (TRI), we create a combined inventory which lists the type, amount, and concentration of pollutant flows. Using total weight of the pollutant flow back calculated from observed data for CO2 concentrations in flue gas for individual sectors, we calculate the concentration of each pollutant in the flue gas stream. Thus, the resultant emissions inventory includes the following details for each facility in the sector: facility-level and if possible, process-level pollutant flows, concentrations of pollutants in the flue gas, and geographical coordinates of the facilities. A detailed statistical analysis and summary allows us to search for erroneous data and remove them from the final inventory. The generation of the inventory is achieved using a python-based framework which can recreate this inventory for other industrial sectors as well as using newer releases of emission inventories from EPA. The statistical analysis performed on the inventory is also calibrated and automated to identify outliers efficiently.

air pollutants↗