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DOE OSTI2025

Scaling laws in jet classification

We demonstrate the emergence of scaling laws in the benchmark top versus QCD jet classification problem in collider physics. Six distinct physically-motivated classifiers exhibit power-law scaling of the binary cross-entropy test loss as a function of training set size, with distinct power law indices. This result highlights the importance of comparing classifiers as a function of dataset size rather than for a fixed training set, as the optimal classifier may change considerably as the dataset is scaled up. We speculate on the interpretation of our results in terms of previous models of scaling laws observed in natural language and image datasets.

Batson, Joshua↗

DOE OSTI2022

PMC$_\infty$: Infinite-Order Scale-Setting method using the Principle of Maximum Conformality and preserving the Intrinsic Conformality

We show results for Thrust and C-parameter in e^+ e^- e + e − annihilation to 3 jets obtained using the recently developed new method for eliminating the scale ambiguity and the scheme dependence in pQCD namely the Infinite-Order Scale-Setting method using the Principle of Maximum Conformality (PMC _\infty ∞ ). This method preserves an important underlying property of gauge theories: intrinsic Conformality (iCF). It leads to a remarkably efficient method to eliminate the conventional renormalization scale ambiguity at any order in pQCD. A comparison with Conventional Scale Setting method (CSS) is also shown.

Di Giustino, Leonardo↗

DOE OSTI2020

Physics at the MeV-Scale in Liquid Argon Time Projection Chambers

The liquid argon time projection chamber (LArTPC) is the detection technology chosen for several Fermilab-based neutrino experiments. This technology will be used in studies of neutrino cross-sections and oscillations, neutrinos from supernovae as well as a variety of studies of beyond the Standard Model physics. This thesis explores the use of these detectors to study MeV-scale activity. MeV-scale electrons arising from Compton scatters of deexcitation photons and photons from inelastic neutron scattering in neutrino-nucleus interactions are reconstructed using novel methods presented here. This work represents the first demonstration of MeV-scale physics capabilities in a LArTPC neutrino experiment as well as the first observation of neutrino-produced photons from nuclear de-excitation and inelastic neutron scattering. A search for millicharged particles, postulated by theories of beyond the standard model physics, is also performed using data from a LArTPC and the low-ener gy reconstruction techniques developed. The results set world-leading bounds on the parameter space of millicharged particles. The work in this thesis demonstrates that studies of MeV-scale activity and new physics are possible with LArTPC technology and provides the foundation for future LArTPC studies of low energy neutrinos and new physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Guidance for Monitoring Passive Groundwater Remedies Over Extended Time Scales

Passive remediation can be appropriate where natural processes and actions such as institutional controls mitigate exposure to contaminated groundwater, achieving remedial action objectives and protectiveness of human health and the environment. Monitored natural attenuation (MNA) is a prevalent passive remediation strategy supported by a regulatory framework and monitoring design guidance. MNA can also be used after active remediation has been completed (e.g., pump-and-treat) as a polishing step to reach ultimate remedial action objectives. However, MNA and existing monitoring guidance primarily target situations where the remedial action objectives are met within a few decades. When timescales for passive remediation extend to many decades, a corresponding change in monitoring strategy is needed to adapt to the extended time scale. This document provides guidance for implementing an extended-scale monitoring (ESM) approach appropriate for long-duration passive remediation. Extended-scale is defined in this document with respect to time (i.e., a long duration of remediation) and a large enough physical scale such that receptors will not be impacted within the remediation timeframe.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

KENO V.a Primer: Performing Calculations using SCALE’s Criticality Safety Analysis Sequence (CSAS5) with Fulcrum

The SCALE code system developed at Oak Ridge National Laboratory is widely used and accepted around the world for criticality safety analyses. The well-known KENO V.a three-dimensional Monte Carlo criticality computer code is one of the primary criticality safety analysis tools in SCALE. The KENO V.a primer is designed to help a new user understand and use the SCALE/KENO V.a Monte Carlo code for nuclear criticality safety analyses. It assumes that the user has a college education in a technical field. There is no assumption of familiarity with Monte Carlo codes in general or with SCALE/KENO V.a in particular. The primer is designed to teach by example, with each example illustrating two or three features of SCALE/KENO V.a that are useful in criticality analyses. The primer is based on SCALE 6.2 and 6.3, which includes the Fulcrum graphical user interface (GUI). Each example uses Fulcrum to provide the framework for preparing input data and viewing output results. Starting with a Quickstart section, the primer gives an overview of the basic requirements for SCALE/KENO V.a input and allows the user to quickly run a simple criticality problem with SCALE/KENO V.a. The sections that follow Quickstart include a list of basic objectives at the beginning that identifies the goal of the section and the individual SCALE/KENO V.a features that are covered in detail in the sample problems in that section. Upon completion of the primer, a new user should be comfortable using Fulcrum to set up criticality problems in SCALE/KENO V.a. The primer provides a starting point for the criticality safety analyst who uses SCALE/KENO V.a. Complete descriptions are provided in the SCALE/KENO V.a manual. Although the primer is self-contained, it is intended as a companion volume to the SCALE/KENO V.a training and documentation. The SCALE manual and training schedule are available at https://scale.ornl.gov. The primer provides specific examples of using SCALE/KENO V.a for criticality analyses; the SCALE/KENO V.a manual provides information on the use of SCALE/KENO V.a and all its modules. The primer also contains an appendix with sample input files. In addition, this primer, its errata and sample inputs are also available at https://code.ornl.gov/scale/primers/kenova.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2020

KENO-VI Primer: Performing Calculations using SCALE’s Criticality Safety Analysis Sequence (CSAS6) with Fulcrum

The SCALE code system developed at Oak Ridge National Laboratory is widely used and accepted around the world for criticality safety analysis. The well-known KENO-VI three-dimensional Monte Carlo criticality computer code is one of the primary criticality safety analysis tools in SCALE. The KENO-VI primer is designed to help a new user understand and use the SCALE/KENO-VI Monte Carlo code for nuclear criticality safety analysis. It assumes that the user has a college education in a technical field. There is no assumption of familiarity with Monte Carlo codes in general or with SCALE/KENO-VI in particular. The primer is designed to teach by example, with each example illustrating two or three features of SCALE/KENO-VI that are useful in criticality analysis. The primer is based on SCALE 6.2 and 6.3, which includes the Fulcrum graphical user interface. Each example uses Fulcrum to provide the framework for preparing input data and viewing output results. Starting with a Quickstart section, the primer gives an overview of the basic requirements for SCALE/KENO-VI input and allows the user to quickly run a simple criticality problem with SCALE/KENO-VI. Each following section begins with a list of basic objectives identifying the goal of the section and the individual SCALE/KENO-VI features covered in detail in the section’s sample problems. Upon completion of the primer, a new user should be comfortable using Fulcrum to set up criticality problems in SCALE/KENO-VI. The primer provides a starting point for the criticality safety analyst who uses SCALE/KENO-VI. Complete descriptions are provided in the SCALE/KENO-VI manual. Although the primer is self-contained, it is intended as a companion volume to the SCALE/KENO-VI training and documentation. The SCALE manual and training schedule are available at https://scale.ornl.gov. The primer provides specific examples of using SCALE/KENO-VI for criticality analysis; the SCALE/KENO-VI manual provides information on the use of SCALE/KENO-VI and all its modules. The primer also contains an appendix with sample input files. In addition, this primer, its errata, and sample inputs are also available at https://code.ornl.gov/scale/primers/kenovi/.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Structurally flexible cloud microphysics, observationally constrained at all scales via ML-accelerated Bayesian inference

We discuss the challenge of developing observationally informed parameterizations of microphysics for use at a hierarchy of modeling scales. Our proposed approach is applicable to any domain that suffers from a two-fold parameterization problem, where physical processes are not resolved at the model scale (the first problem), and those processes are uncertain at any scale (the second problem). For such problems, a physical approach facilitates modeling across scales, as well as systematic observational inference accelerated by machine learning (ML) surrogate models, and quantification of physical uncertainties.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Supercritical Carbon Dioxide Primary Power Large-Scale Pilot Plant

The United States electrical power generation fleet encompasses a wide range of technologies, ranging from traditional combustion-based power generation, to nuclear power, to renewable energy. While the distribution of these assets continues to shift due to economic and regulatory influences, coal combustion continues to be a key part of the US energy portfolio. Despite the relative maturity of coal combustion technology, improvements in overall fuel-to-power efficiency and generation flexibility are still possible and will improve both the economic and environmental factors of coal combustion. Echogen Power Systems proposes to lead a world-class team including the University of Missouri, Electric Power Research Institute and Louis Perry Associates in the design, construction and operation of a 10MWe coal-fired supercritical carbon dioxide (sCO 2 ) large-scale pilot. This transformational technology uses sCO 2 as a working fluid instead of water to achieve high thermodynamic efficiencies that can significantly exceed advanced steam-Rankine cycles. Further, the compact nature of sCO 2 turbomachinery offers capital cost and footprint advantages, and the low maintenance of a water-free power cycle can significantly reduce operation and maintenance (O&M) costs over conventional steam-Rankine systems. Recent integration studies of sCO 2 with coal combustion power plants highlight the significant improvements in plant efficiency that sCO 2 can offer relative to even advanced steam Rankine cycles. At commercial scales, coal-sCO 2 plant net efficiency is predicted to be 39-44.0% (HHV), or 10-20% higher output than conventional steam-Rankine systems, which will significantly improve the competitiveness of coal-fired generation. This proposal builds upon projects previously funded by the Department of Energy, including DE-FE0025959 (High-Efficiency Thermal Integration of Closed Supercritical CO 2 Brayton Power Cycles with Oxy-Fired Heaters) and DE-NE0008470 (Conceptual Design for sCO 2 Power Cycle Test Facility). An appropriately-scaled and properly designed and operated pilot project is essential to overcome the natural risk-aversion of the power generation industry and project financing community. The 10 MWe coal-fired sCO 2 pilot power plant proposed herein will reduce the technical and economic risk of this transformational technology, enabling commercial deployment at the conclusion of the project. For the second phase of this project, Echogen lead a team that completed and refined the pilot system conceptual system and key component designs resulting in the completion of a front-end-engineering-design (FEED) study, completed the NEPA review process, completed the permitting process for construction and operation, refined the techno-economic analysis of the proposed system at commercial scale and received commitments for Phase III cost share. The end result of the program will be to demonstrate the technical and economic superiority of the sCO 2 power cycle for coal-fired operation. Major risk elements will have been retired with sufficient operation at high power to enable the power generation industry to move forward with the first commercial deployment of this transformational system.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2021

Small-Scale Engineered High Flexibility Gasifier

This project advances a small-scale gasification unit as the first step in syngas-based hydrogen, chemicals, and synthetic fuels production. This unit is associated with an enhanced flexibility to different carbonaceous feedstocks including different types of coals, biomass, and plastics. The purpose of the project was to demonstrate feasibility and efficiency of coal pyrolysis in an auger reactor (pyrolyzer); supplemental methane and pyrolysis gas conversion into syngas in a proprietary non-catalytic converter; combined performance of pyrolyzer and non-catalytic converter to convert coal into syngas The proposed technology is based on an application of an intermediate speed pyrolysis at the temperature range 400-600°C as the first stage of biomass processing. At an industrial scale, an incorporation of coal pyrolysis into a feeding machine – auger-reactor allows to decrease its capital cost. At a pilot scale, it permits to employ electricity to build a compact device for testing of downstream equipment. The auger-reactor (pyrolyzer) generates pyrolysis gas and char practically from any carbonaceous feedstocks but their compositions and quantities are determined by their types. Pyrolysis gas is converted into syngas (mix of H 2 and CO) in a novel, proprietary hydrogen flame assisted non-catalytic converter which employs O 2 instead of air as an oxidizer. This reactor (converter) allows an easy adjustment to different pyrolysis gas compositions and tolerates a presence of sulfur and nitrogen contaminants. Our technology assumes carbonaceous feedstocks gasification with oxygen to allow the products H 2 , CO or CO 2 to be not diluted in N 2 and ready for the following synthesis of chemicals and fuels. Due to the same reason, it permits a more efficient CO 2 capture for its transport and storage. An implementation of our small-scale gasification process may overcome economic constrains by a flexible acceptance of coal, biomass, and plastics as well as their unsorted mixtures to make syngas for the following production of pure hydrogen, chemical and/or synthetic fuels.

42 ENGINEERING↗

DOE OSTI2022

Scaling the Microbial Ecology of Soil Carbon (Final Report)

This work developed new techniques and discoveries in quantitative microbial ecology, focusing on soil carbon. The work advanced a new approach to stable isotope probing (SIP), adding a quantitative way to infer taxon-specific rates of growth, mortality, and associated carbon (C) fluxes in soil microbial communities, a framework that the work demonstrated can scale from individual microbial taxa to the integrated soil system. Among the “-omics” techniques in microbial ecology, those based on stable isotope probing (SIP) hold particular promise for addressing the challenge of scaling from molecules to the major biogeochemical element cycles. Because SIP measures directly the fluxes of elements into nucleic acids, it physically connects element flux to genetic information. The work explored new ways to quantify taxon-specific C-use and growth efficiency and tested hypotheses about responses of the soil microbial community to experimental warming and to latitudinal variation in temperature. This work pushed the frontier of –omics enabled techniques by demonstrating their applicability at the ecosystem scale, and by relating taxon-specific isotope assimilation to dissimilatory processes in the C cycle, thereby enabling the identification of organisms especially responsible for soil C loss, in other words, attributing ecosystem-scale element fluxes to individual microbial taxa.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Renewable Energy Landscapes: Designing Place-Based Infrastructure for Scale

This paper offers a pathway for developing community-centered renewable energy at scale, outlining how renewable energy landscapes can be envisioned alongside the high environmental and social equity standard that is at the heart of the future clean energy system. We call this “place-based at scale” and “renewable energy landscapes” because the ultimate aim is to adapt technology and infrastructure coherently and collectively toward community objectives, and to organize it to allow replicability and scaled approaches across the country. Realizing this type of development in practice will require reconciling the challenges and tensions that currently existing between top-down and bottom-up approaches. It will also require reckoning with greenhouse gas emission goals, large investments in infrastructure, and community self-determination as the driving priority in those investments. We believe a window of opportunity is presenting itself to shape and envision the future of renewable energy installations and move into action to create them. Six pathways that draw upon new cooperation between disciplines for designing renewable energy landscapes at scale are presented and historical perspectives are explored.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

Grid-Scale Electricity Storage at Lowest Possible Cost Enabled by Pumped Heat Electricity Storage (Final Report)

Grid-scale energy storage technologies that can provide greater than 10 hours of electricity at full power address a critical need for full penetration of renewables on electricity grids worldwide, minimize renewable curtailment, and maximize grid security and reliability. Pumped Heat Energy Storage (PHES) systems can store energy thermally in any location at the low costs necessary for displacing fossil fuels, reducing foreign fuel imports, and reducing emissions to maintain the energy security of the United States. The award allowed Southwest Research Institute® (SwRI®) and Malta, Inc. (Malta) to advance the PHES concept to a proof-of-concept demonstration for a kW-scale system. The project focused on system operation and integration. The main project objectives were: 1. Address first implementation challenges 2. Explore system control strategies and operation 3. Translate lessons learned to the full-scale system Through these objectives the project completes a first demonstration of this technology and reduces the technical risk associated with a full-scale system.

25 ENERGY STORAGE↗

DOE OSTI2021

Creation of Laboratory-scale Testbed for Autonomous Monitoring and Control of Subsurface Systems

This report describes the results of an LDRD project aiming to develop a laboratory-scale testbed for autonomous subsurface monitoring and control systems. Modifications were made to an existing polyaxial loading frame to incorporate electrical resistivity tomography (ERT) and acoustic emission (AE) monitoring systems. This allows engineered subsurface processes to be studied under realistic temperatures and stresses in a scaled-down laboratory environment with similar monitoring systems as are deployed in field-scale systems. The paper outlines some challenges that were faced in implementing the ERT system at the laboratory scale and the solutions that were devised. Results are shown from two demonstration tests—one focusing on the ERT system, and one focusing on the AE system.

42 ENGINEERING↗

DOE OSTI2021

Assimilating Scanning Radar Data into Cloud-Scale Models

The aim of this project is to improve the initial conditions of large eddy simulations (LES) of deep convective storms by assimilating scanning radar reflectivity and radial velocity data as well as local environmental observations. Accomplishing this goal often results in more accurate numerical forecasts of clouds and precipitation than if the background initial meteorological conditions are solely relied upon for convection initiation and intensification, as is typical of most operational and research models. Conducted in a storm-scale LES framework, these more accurate numerical analyses can serve as tool to better understand and parameterize land-atmosphere coupling, boundary layer turbulence, and cloud processes, each used for model parameterization development of convection. Our work examined the sensitivity of the numerical representation of cloud-scale wind and microphysical structures to: i) the assimilation of radiosonde observations characterizing the near-storm inflow, ii) the assimilation of radar data of varying resolution for model simulations with grid spacings of 1-km and 0.25-km, and iii) to the assimilation of three-dimensional plan-projection-indicator (PPI) and range-height indicator (RHI) radar volumes. Few studies have explored deep convective storm analyses and forecasts produced by assimilation of radar observations to cloud-scale LES. Furthermore, to our knowledge, no storm-scale DA study has explored the value of assimilating high-resolution sector RHI volumes to determine if they can improve the retrieval of the vertical kinematic and microphysical storm structure aloft over the use of traditionally utilized PPI scans.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Modeling and Simulation of Xe-100-type Pebble Bed Gas-Cooled Reactor with SCALE

The US Department of Energy (DOE) announced the Advanced Reactor Demonstration Program (ARDP) to accelerate the deployment of advanced reactor concepts. Awardees of ARDP funds are expected to demonstrate the operation of an advanced reactor within 7 years of receiving the award. X-Energy’s advanced reactor concept, the Xe-100, was selected as one of two advanced reactor concepts to receive funding to demonstrate the operation of its high-temperature gas-cooled pebble-bed reactor before the end of this decade. As a result of this push to bring advanced reactors to maturation and commercialization, transition and deployment scenario studies are being performed under the Systems Analysis and Integration (SA&I) campaign within the DOE Office of Nuclear Energy (DOE-NE) to evaluate the transition of the current US commercial fleet of light-water reactors (LWRs) to a future fleet of advanced reactors consisting of a mix of ARDP type reactor concepts and advanced LWRs. To accurately evaluate the front- and back-end resource requirements, it is important to perform reactor physics calculations to determine the discharge burnup and isotopic content, fuel residence time, as well as other parameters. For this purpose, a summer project funded by the SA&I campaign allowed for the setup of SCALE models for full-core Xe-100 type high-temperature gas-cooled pebble-bed reactor and a Xe-100 type slice using publicly available information. The core-averaged equilibrium compositions and zone-wise equilibrium compositions for the slice and 3D models, respectively, were obtained following an iterative depletion method developed by Bostelmann et al. using SCALE’s reactor physics sequence TRITON. The slice model was used with TRITON to generate burnup-dependent cross section libraries at different temperatures which can be used with SCALE’s ORIGAMI code to rapidly determine fuel inventory and therefore to perform quick sensitivity studies on parameters such as the pebble location in the core. The SCALE/TRITON transport and depletion calculation for the Xe-100 type slice model indicates that the isotopic concentrations are in good agreement at 1,300 effective full power days (EFPD) for 235 U. An analysis of 236 U results match 239 Pu results would seem to indicate a typographical error in Mulder and Boyes wherein the reported results of 236 U and 239 Pu are reversed. In addition to SCALE/TRITON calculations, a new capability within SCALE/ORIGAMI for the simulation of pebble-bed reactors was used to study the burnup sensitivity with respect to the pebble pathway through the core. The SCALE/ORIGAMI results show that pebbles that travel closer to the reflector for the entire depletion history have a higher burnup than pebbles that travel through the middle of the core because of the higher thermal to fast flux ratio near the reflector. Consequently, a pebble’s burnup is strongly affected by the pebble’s pathway for each pass. Additional phenomena such as temperature distributions in the core and different travel times of the pebbles in the individual radial zones further affect the burnup distribution. The sensitivity of the discharge vector to the pebble pathways taken during each pass can be evaluated in the future using SCALE/ORIGAMI now that the SCALE inputs have been established.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Modular, Multifunction, Multiport and Medium Voltage Utility Scale SiC PV Inverter (Final Report)

This project is to develop and demonstrate a Modular, Multi-function, Multiport and Medium Voltage utility scale SiC solar inverter (M4 Inverter). The M4 Inverter is a next generation utility scale PV + storage inverter that can substantially reduce the levelized cost of energy (LCOE) while providing grid friendly ancillary services. Conventional utility scale solar inverters includes three parts, a megawatt rated solar inverter, a low frequency transformer (LFT) and a medium voltage switch gear. The proposed M4 Inverter directly converts the DC output of solar panels to medium voltage AC, eliminating the bulky and costly LFT. The M4 Inverter also has a DC port to interface with an additional energy storage device. This plus its bidirectional power flow capability, allows multiple functions in addition to PV maximum power tracking be achieved. These additional functionalities include but not limited to reactive power support, peak shaving, fast frequency regulation and synthetic inertia. Predicted LCOE reductions with these added functionalities, improved efficiency and longer lifetime time are more than 30% compared with the 2017 utility scale solar LCOE. A 1MVA SiC M4 Inverter was developed and tested at high power level. The project has also advanced the state of the art in controller hardware in the loop simulation capability. Power electronic innovations introduced in the M4 Inverter includes 1700V SiC MOSFET application in 1500V PV system, soft switching three-port power converters and modular converter architecture.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

SPARC-X: Quantum simulations at extreme scale - reactive dynamics from first principles

We have developed the massively parallel electronic structure code SPARC-X: a computational framework for performing Kohn-Sham Density Functional Theory (DFT) calculations that can scale linearly with the number of atoms in the system, while being able to leverage petascale and emerging exascale parallel computers to study chemical phenomena at unprecedented length and time scales. SPARC-X exploits a recent breakthrough in electronic structure methodologies: systematically improvable, strictly local, orthonormal, discontinuous real-space bases that efficiently and systematically capture the local chemistry of the system. With further adaptation using new machine-learning techniques and the use of the massively parallel Spectral Quadrature (SQ) electronic structure method, the algorithmic complexity and prefactor associated with DFT calculations involving semilocal as well as hybrid functionals are dramatically reduced. Using petascale computational resources, SPARC-X enables quantum mechanical simulations at length and time scales previously accessible only by empirical approaches, e.g., 1,000,000 atoms for a few picoseconds using semilocal functionals or 1,000 atoms for a few picoseconds using hybrid functionals. Using exascale resources, the sizes and times targeted are two orders of magnitude larger. Such a capability has applications in a wide variety of chemical sciences, including reactive interfaces where large length- and/or long time-scales are needed and traditional force fields fail. This is particularly important in dynamic catalysis, where bond breaking and formation must be understood in detail. We developed, tested, and employed the SPARC-X framework to understand the photocatalytic properties of TiO 2 nanoparticles, revealing finite size effects that cannot be captured with standard model systems or functionals. This integrated development and application strategy ensures that SPARC-X remains a robust, efficient, and scalable software package for quantum simulations on current petascale and emerging exascale computing resources.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Bench-Scale Testing of Monolithic PPI Structured Contactors for Direct Air Capture of CO 2

The overall project objective was to develop, optimize and bench-scale test the integrated embodiment of a leading direct air capture (DAC) sorbent composition, linear-poly(propylenimine) (l-PPI), in a structured material system, specifically a monolithic contactor for achieving low pressure drop, to justify its further scale-up in a subsequent program. The project team was led by CORMETECH, a leading monolithic gas/solid contactor manufacturer for environmental applications, and included Global Thermostat, a well-known DAC start-up, and Georgia Tech, a prominent US academic institution in carbon capture and DAC. The monolithic contactor for l-PPI in this project employed an advanced, cost-effective fabrication technique from CORMETECH, namely a porous monolith substrate directly impregnated with the amine, an approach contrasting to the traditional wash-coating methods used for activating monoliths. The l-PPI monolithic contractor is targeted for use in DAC systems such as the Global Thermostat DAC process, which involves the cyclic operation of ambient air flow over a monolithic amine contactor followed by steam-mediated thermal desorption and CO 2 collection, maximizing volumetric productivity while reducing the auxiliary power required to capture CO 2 from air. The Global Thermostat DAC process currently utilizes poly(ethyleneimine) (PEI) materials as baseline sorbents, which are subject to oxidative degradation and slow capacity fade at the elevated temperature required for efficient CO 2 removal. Georgia Tech, with Global Thermostat, had discovered in lab-scale efforts that l-PPI had superior resistance to oxidative degradation compared to PEI, with similar CO 2 adsorption capacity. While the novel l-PPI sorbent offers significant advantages over PEI for DAC, including potential design simplification and increased process efficiency, it is not commercially available, and prior to this project, had not yet been evaluated on the bench-scale in a structured contactor.

36 MATERIALS SCIENCE↗