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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Well–based monitoring of CO 2 geological sequestration operations in saline aquifers: Critical insights into key questions

Geological carbon sequestration in saline aquifers is one of the most promising strategies to help mitigate emissions of CO 2 to the atmosphere. Significant challenges in ensuring the security of the sequestration process rest in the evolution and expansion of the CO 2 plume in the subsurface. The ability to track the movement of the injected CO 2 poses another challenge. Critical questions related to the integrity of the sequestration operations in saline aquifers relate to plume characteristics that can we monitor using well-based variables. We addressed this and related questions using an integrated modeling framework through a numerical investigation of carbon sequestration in saline aquifers during long-term and post-injection periods. This modeling paradigm incorporates the effect of structural, geological, and petrophysical characteristics. That way, we can account for critical physicochemical processes, rock-fluid interactions, and lithology dependencies. The well fluid variables investigated include fluid composition, pH, fluid density, and ion activity. We learned that fluid property analytics and diagnostics can be powerful tools to estimate the movement of CO 2 and its storage in different trapping mechanisms. These analytics can help optimize operational aspects and simplify reservoir-scale models while still reflecting the complex nature of the CO 2 interactions underground and offering insights into plume evolution.

58 GEOSCIENCES↗
DOE OSTI2023

Probabilistic feasibility assessment of sequestration reliance for climate targets

Countries worldwide are transforming their energy systems to achieve Carbon-Neutrality. Investing in renewable resources-based technologies and implementing Carbon Capture and Storage (CCS) are common strategies to achieve higher sequestration levels. Negative emissions through Bioenergy with CCS are expected to play an essential role in the transition to full decarbonization. On top of that, biomass is a limited resource that depends on environmental factors, which create uncertainties related to the amount that can be sustainably provided to the energy system. Here this study emphasizes the relevance of variability in carbon sequestration for achieving climate targets by 2050. Here this paper proposes a probabilistic approach that integrates the Global Change Analysis Model for Latin America (GCAM-LA) with a chance constraint approach. GCAM-LA is used to assess the impact on the energy sector of different limits of sustainable biomass and carbon budget scenarios. The risk associated with exceeding the sequestration capacity of a given region is modeled via Chance Constraint. Results show that electrification is an appropriate long-term decarbonization strategy. It smoothes the effects of uncertainty in sequestration capacity and responds to end-user demands. For this case study, higher levels of electrification are obtained at likelihood levels >66% for end-use sectors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Carbon Mineralization of Sulfate Wastes Containing Pb: Synchrotron Pb M3-Edge XANES Analysis of Simultaneous Heavy Metal and Carbon Sequestration

Sulfate wastes are produced in large quantities and contain toxic heavy metals such as lead (Pb), posing environmental risks. Because of favorable solubility differences, these wastes can be repurposed for engineered carbon dioxide (CO 2 ) sequestration. Understanding the fate and mobility of heavy metals during this process is important. This study focuses on Pb and the effect of zinc (Zn) on Pb in carbon mineralization. Synthesized gypsum was treated with a carbonate-rich solution at pH 11.5 to convert the sulfates to carbonates. Aqueous solutions and mineral solids were analyzed. Synchrotron-based micro-X-ray fluorescence and a novel application of Pb M3-edge X-ray absorption near-edge structure provided detailed insights into Pb distribution and mineral forms. Results showed significant reductions in aqueous Pb and Zn concentrations, indicating effective metal sequestration. Carbon mineralization transformed Pb from soluble anglesite (PbSO 4 ) into insoluble cerussite (PbCO 3 ) and hydrocerussite (Pb 3 (CO 3 ) 2 (OH) 2 ). Pb primarily precipitated onto calcium carbonate surfaces through surface-mediated precipitation reactions. While the presence of Zn modified crystallization dynamics, it did not impede Pb sequestration and potentially enhanced surface reactivity, facilitating greater Pb immobilization. These findings highlight carbon mineralization as a sustainable approach to immobilize toxic metals in sulfate wastes while advancing CO 2 sequestration efforts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Assembled peptoid crystalline nanomaterials as carbonic anhydrase mimics for promoted hydration and sequestration of CO 2

Carbonic anhydrase (CA) mimics have received significant attention due to their promising applications in the enhanced hydration and sequestration of CO 2 . Herein, we report the assembly of sequence-defined peptoids into crystalline nanomaterials with controlled microenvironment of active sites as CA mimics for promoted hydration and sequestration of CO 2 . By incorporating specific ligands into self-assembling peptoids and coordinating these ligands with metal cations, we synthesize a variety of crystalline nanosheets and nanotubes as efficient CA mimics comparable to natural bovine CA. Molecular dynamics simulations reveal the critical roles of peptoid-Zn 2+ binding energy and the active site local microenvironment on the catalytic performance of these CA mimics. CO 2 precipitation results show that these CA mimics promote the hydration and sequestration of CO 2 while retaining high thermal and chemical stabilities. This study offers essential guidance for the future design of high-performance CA-mimics suitable for applications in CO 2 capture and sequestration.

Chakma, Progyateg [Pacific Northwest National Labo↗
DOE OSTI2022

Earlier snowmelt may lead to late season declines in plant productivity and carbon sequestration in Arctic tundra ecosystems

Arctic warming is affecting snow cover and soil hydrology, with consequences for carbon sequestration in tundra ecosystems. The scarcity of observations in the Arctic has limited our understanding of the impact of covarying environmental drivers on the carbon balance of tundra ecosystems. In this study, we address some of these uncertainties through a novel record of 119 site-years of summer data from eddy covariance towers representing dominant tundra vegetation types located on continuous permafrost in the Arctic. Here we found that earlier snowmelt was associated with more tundra net CO 2 sequestration and higher gross primary productivity (GPP) only in June and July, but with lower net carbon sequestration and lower GPP in August. Although higher evapotranspiration (ET) can result in soil drying with the progression of the summer, we did not find significantly lower soil moisture with earlier snowmelt, nor evidence that water stress affected GPP in the late growing season. Our results suggest that the expected increased CO 2 sequestration arising from Arctic warming and the associated increase in growing season length may not materialize if tundra ecosystems are not able to continue sequestering CO 2 later in the season.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Regional Geology Capstone Report for the Midwestern Regional Carbon Sequestration Partnership (Volume V)

The Midwest Regional Carbon Sequestration Partnership (MRCSP) was founded in 2003 as part of the U.S. Department of Energy’s (DOE’s) Regional Carbon Sequestration Partnership initiative. Since its founding, MRCSP has made significant strides toward making CCUS a viable option for states in the region. The public/private consortium, funded through the DOE Regional Carbon Sequestration Initiative, brings together nearly 40 industry partners and 10 states. Battelle, as the project lead, oversees research, development and operations and coordinates activities among the partners. The incremental, phased approach has built a valuable knowledge base for the industry and paved the way for commercial-scale adoption of CCUS technologies. From 2008 to 2020, MRCSP Phase III focused on the development of large-scale injection projects. This report is part of a series of reports prepared under the Midwestern Regional Carbon Sequestration Partnership (MRCSP) Phase III (Development Phase). These reports summarize and detail the findings of the work conducted under the Phase III project. The MRCSP regional geology Capstone report summarizes the regional characterization of geologic storage subtasks performed under MRCSP Phase III. The regional characterization work was completed by the state geological surveys of Delaware, Indiana, Kentucky, Maryland, New York, Ohio, Pennsylvania, and West Virginia along with Western Michigan University and Rutgers University. Building on the Phases I and II, the Phase III research was focused on key research topics identified in previous MRCSP efforts: [1] Regional Geologic Cross Sections for Potential Storage and Containment Zones; [2] Appalachian Basin: Enhanced Recovery Opportunities; [3] Michigan Basin: Assessment of Enhanced Oil Recovery Using Carbon Dioxide in Silurian Pinnacle Reefs; [4] Mid-Atlantic Coastal Plain and Adjacent Offshore Region: Characterization of Carbon Storage Targets; [5] Ordovician-Cambrian Units: Hierarchical Evaluation of Geologic Carbon Storage Resource Estimates; [6] Upper Silurian to Middle Devonian Strata of Ohio: Structural Characterization of Potential CO 2 Reservoirs and Adjacent Strata; [7] Triassic Rift Basins: Preliminary Study of Long-Term CO 2 Storage Potential Together, the regional characterization effort developed useful products to support project developers, policy makers and other stakeholders in the MRCSP region seeking to understand where potential storage exists relative to large stationary sources of CO 2 emissions.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Separation of CO 2 from Flue Gas and Potential for Geologic Sequestration

The objectives of this study were to review various methods reported in the literature for the separation and geologic sequestration of carbon dioxide and evaluate the potential of TVA fossil fuel-burning plant locations for onsite geologic sequestration of CO 2 from stack emissions. Several conventional and nonconventional technologies for the separation of CO 2 from flue gas, including absorption, adsorption, cryogenic distillation, membranes, hydrate formation and dissociation, and ammonia carbonation, have been reviewed in terms of separation mechanisms, flow diagrams, and costs. Most of the technologies that have been reviewed are still at the research and development stage. Critical information needed to assess and compare these technologies is still lacking. In addition, information on some of the technologies that have been tested at a pilot or industrial scale has not been fully disclosed in the open literature. Because of this lack of data, it is difficult to make a critical assessment of each of the separation technologies. Based on limited information, it was concluded that the most promising methods are membrane separation and the Mitsubishi process for chemical absorption. Both processes involve separating CO 2 at high temperature, minimizing the cost for cooling prior to separation. Physical and chemical geologic formations of CO 2 were also reviewed. It was concluded that due to the geologic time scale of CO 2 sequestration periods, relatively safe conditions, general proximity to CO 2 sources, and extensive knowledge of underground conditions, sequestration of CO 2 in underground aquifers and coal beds is a very promising method of mitigating greenhouse gas emissions. The cost is predicted to be relatively low and the suitable sites are numerous for this application, with many of these sites located close to the plants.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

Geochemical Assessment for Carbon Sequestration in the Conasauga Group, Northwest Georgia, USA

Sedimentary geological formations are known to be great candidates for geological carbon sequestration. Published studies suggest the southeast of the United States contains many formations suitable for carbon storage. The Cassville 1 Stratigraphic Borehole well could act as a potential carbon reservoir for nearby energy resource facilities in Georgia, United States. Although studies have shown that porous formations are adequate for geological carbon sequestration, it is important to understand possible geochemical reactions between CO 2 and the targeted geological formation before injecting any fluids. In this study, a sandstone sample from the Cassville 1 well is being considered for geological carbon sequestration in the Conasauga Group in Northwest Georgia. Here, the collected sandstone sample, consisting of quartz, K-feldspar, micas, kaolinite, and carbonate minerals such as calcite and dolomite, has a 6% porosity. Leveraging the formation composition and porosity, a one-dimensional continuum reactive transport model was built using CrunchFlow to assess possible geochemical reactions between injected CO 2 and the geological formation. Simulation results show that the carbonate minerals, calcite and dolomite, dissolve during the injection period of 10,000 days, increasing formation porosity from 6% to as much as 30%. The rate and extent of carbonate mineral dissolution and resulting porosity increase are highly sensitive to mineral reactive surface area values. No evidence of mineral precipitation was observed, suggesting that dissolution reactions will control porosity evolution during the CO 2 injection period.

42 ENGINEERING↗
DOE OSTI2023

Economic and operational investigation of CO 2 sequestration through enhanced oil recovery in unconventional reservoirs in Colorado, USA

The ongoing CCUS commercial projects are highly relied on the support of government incentives due to massive capital investment. Here, this study analyzes the economics of carbon capture utilization and sequestration (CCUS) projects, shows a state-wide CCUS deployment exercise, followed by simulation results of enhanced oil recovery (EOR) based CO 2 storage in unconventional reservoirs. The comprehensive economic analysis of capture, transportation, sequestration costs, enhanced 45Q tax credits, and EOR revenue implies the practicality of CO 2 -EOR to offset the high CCUS costs. With the economics understanding, we study the top CO 2 sources, existing CO 2 pipelines, and sequestration sinks in the state of Colorado, USA. This paper next presents results from EOR simulation in one section of the unconventional Denver-Julesburg (DJ) Basin Niobrara and Codell reservoirs. The simulation model is based on a geological static model, incorporated with hydraulic fracture stimulation, history matched to production, and calibrated to the microseismic and time-lapse surface seismic data. The CO 2 -EOR simulation results show that oil production can be increased and more CO 2 stored with: a longer primary production period; the presence of a shut-in period; higher injection rates; and multi-well injectors. The modeling results show that about 7–10 Mscf of CO 2 will be stored when recovering 1 stb of EOR oil. By adding the enhanced oil revenue and the carbon credits together, it is estimated that the most economic case can generate $\$13$ MM when oil price is assumed to be $\$80$/stb, and the EOR oil revenue is 3.4 times greater than that generated from 45Q incentives. It corresponds to the scenario that a five-year primary production is followed by CO 2 injection into four wells with the sequence of injection (4 MMscf/day for 6 months), shut-in (6 months) and production (12 months). The best practices in this study will provide valuable insights for similar CCUS projects in other unconventional fields. Furthermore, this study defines a term named “Carbon Neutrality Index (CNI)” by comparing the amount of CO 2 stored with that burned by EOR oil. The CNI value of 0 indicates the enhanced oil is carbon neutral; a negative CNI value implies there is a net reduction in carbon emission. The 4-year huff-n-puff (HnP) simulation leads to a positive CNI value, indicating that the EOR oil generated in this process is not carbon neutral yet.

03 NATURAL GAS↗
DOE OSTI2020

Anion-exchanged and quaternary ammonium functionalized MIL-101-Cr metal-organic framework (MOF) for ReO 4 – /TcO 4 – sequestration from groundwater

There are few effective technologies for the sequestration of highly water-soluble pertechnetate (TcO 4 – ) from contaminated water despite the urgency of environmental and public health concerns. Here, anion exchanged and cetyltrimethylammonium bromide (CTAB) functionalized MIL-101-Cr-NO 3 were investigated for perrhenate (ReO 4 – ), a surrogate of TcO 4 – , sequestration from artificial groundwater. Cl – , I – , and CF 3 SO 3 – exchanged MIL-101-Cr proved more effective at ReO 4 – removal than the parent MIL-101-Cr-F. Compared to the parent framework, CTAB functionalized MIL-101-Cr-NO 3 increased ReO 4 – removal capacity from 39 to 139 mg/g, improved the reaction kinetics from ~30 to <10 min to reach full adsorption capacity and the selectivity for ReO 4 – over competing NO 3 – , CO 3 2– , SO 4 2– , and Cl – . Spectroscopic data indicated that the chemical speciation of Re in the exchanged MIL-101-Cr remained ReO 4 – , indicating synergistic sequestration through both anion exchange and non-ion exchange binding with the positively charged ligand of CTAB. These studies foreshadow potential applications of MOFs for the remediation of 99 TcO 4 – from contaminated environments.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Trace Key Mechanistic Features of the Arsenite Sequestration Reaction with Nanoscale Zerovalent Iron

Nanoscale zerovalent iron (nZVI) is considered as a highly efficient material for sequestrating arsenite, but the origin of its high efficacy as well as the chemical transformations of arsenite during reaction is not well understood. Here, in this study, we report an in situ X-ray absorption spectroscopy (XAS) study to investigate the complex mechanism of nZVI reaction with arsenite under anaerobic conditions at the time scale from seconds to days. The time-resolved XAS analysis revealed a gradual oxidation of As III to As V in the course of minutes to hours in both the solid and liquid phase for the high (above 0.5 g/L) nZVI dose system. When the reaction time increased up to 60 days, As V became the dominant species. The quick-scanning extended X-ray absorption fine structure (QEAXFS) was introduced to discover the transient intermediate at the highly reactive stage, and a small red-shift in As K-edge absorption edge was observed. The QEAXFS combined with density functional theory (DFT) calculation suggested that the red-shift is likely due to the electron donation in a Fe-O-As complex and possible active sites of As sequestrations include Fe(OH) 4 and 4-Fe cluster. This is the first time that the transient reaction intermediate was identified in the As-nZVI sequestration system at the fast-reacting early stage. This study also demonstrated usefulness of in situ monitoring techniques in environmental water research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Preliminary Study of Potential Utilization of Triassic Rift Basins for Long-Term Carbon Sequestration

Triassic rift basins of the eastern United States present a potential option for long–term carbon dioxide (CO 2 ) sequestration. Exposed and buried basins are located near large point CO 2 sources. Because of their similar origins, comparable fill successions indicate a level of reproducibility that can be conveyed between basins. The thick rock successions of the exposed Culpeper and Gettysburg basins served as proxies for understanding of the basin sequences. Their study allowed recognition of five mappable assemblages of rock types, herein termed lithofacies associations. These lithofacies associations were formed by alluvial fan, braided and meandering streams and marginal and distal lake depositional processes.Stratigraphic architecture of the lithofacies associations within exposed basins suggests a vertical succession that consists of an initial coarse-grained fluvial succession that is progressively replaced upward and basinward by finer grained lacustrine deposits. Along the faulted margins of the basins alluvial fans transitioning to fluvial delta deposits reflect lateral progradation and contemporaneous lateral components of the basin filling.To test the model devised in exposed basins, facies associations were developed for the buried Taylorsville Basin. This basin preserves over 8,000 feet of Triassic rocks that are concealed beneath more than 2,000 feet of Cretaceous and Tertiary Coastal Plain sediments. Composition and stratigraphic architecture of these rocks are similar to those observed in exposed basins. Infilling of the basin was the result of vertical aggradation and lateral progradation of coarse-grained to fine-grained facies. Based upon study of outcrops in the Culpeper and Gettysburg basins, groups of recurring lithologic facies were identified as the fundamental constructs of the basin’s sediment infilling. These groups of facies, termed lithofacies associations, represent an amalgamation of lithologic components from broadly similar depositional systems. These lithologic associations were then extrapolated into the exposed and buried portions of the Taylorsville basins. This effort determined that Triassic rift basins provide several avenues for potential study of geologic sequestration of carbon. The characteristic rift basin succession in the basins presents possible reservoir targets within the marginal fluvial deposits. Furthermore, intrusive and extrusive mafic bodies present a potential source of fracture porosity that could serve as CO 2 reservoirs. Porosity values from thin section analysis of exposed basin samples are higher in alluvial fan and braided fluvial lithofacies. Porosity is highest in samples that show less compaction, due to a lack of ductile lithic fragments and/or higher stratigraphic position. Log data from the Taylorsville Basin indicates that porosity and permeability values in basin marginal fluvial strata are elevated. Near the center of the basin, porosity and permeability values are greatly reduced, primarily owing to the fine-grained character of the lacustrine deposits. Some Triassic basins also contain thick intervals of concordant extrusive and intrusive mafic igneous rocks. These igneous bodies are potential CO 2 reservoirs for several reasons. Firstly, extrusive lava flows provide potential storage in the layers of primary porosity that occur in the vesicules formed at the top of lava flows. Secondly, both lava flows and subsurface igneous sills exhibit extensive fracture porosity produced by the rapid cooling of the flows and intrusions. Thirdly, these igneous rocks are mafic in composition, and studies have shown that iron- and magnesium-rich mafic rocks provide sequestration opportunities through carbonate remineralization. Lastly, extrusive and intrusive igneous rocks are invariably preserved within fine-grained lake deposits. These lacustrine sediments can serve as a fine-grained confining layer that encases the igneous rocks both above and below.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Southeast Regional Carbon Sequestration Partnership Phase III Overview of Accomplishments (SECARB Phase III Final Report)

The Southeast Regional Carbon Sequestration Program (SECARB) is a carbon management program established in 2003 and managed by the Southern States Energy Board (SSEB). SECARB is one of seven regional carbon sequestration partnerships formed by the Department of Energy (DOE). The seven partnerships form a national network of more than 400 organizations covering 43 states and four Canadian provinces with expertise in the areas of carbon capture, transportation, and storage. The SECARB program was funded by DOE and cost-sharing partners. The primary goal of SECARB was to identify major sources of carbon emissions, characterize the geology of a 13-state region, determine the most promising options for commercial deployment of carbon dioxide (CO 2 ) sequestration technologies in the South, and validate the technology options through carefully executed field testing through 2017. This report summarizes significant Phase III accomplishments and is organized by task as established within the SECARB Phase III Statement of Project Objectives (SOPO). This document does not provide an exhaustive overview of individual tasks. Rather, this report provides an overview of programmatic accomplishments and a timeline of events. Where applicable, hyperlinks to specific project deliverables are provided.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Deeply Rooted: Evaluating Plant Rooting Depth as a Means for Enhanced Soil Carbon Sequestration (Full Technical Report)

Soils store three times as much carbon (C) as the atmosphere, but are not at capacity, and enhanced soil C storage is considered an essential strategy to mitigate rising atmospheric CO 2 levels. Agricultural soils have experienced substantial C loss in the past century due to poor agricultural practices and erosion. A shift towards deep-rooting crops and low-impact soil management could potentially increase long-term sequestration of C fixed by plants and stored in their root tissues, particularly for crops that have naturally deep root systems (>1 meter). A substantial amount of the CO 2 taken up by plants is allocated to their root systems, and because C deposited in deep soil layers has a longer residence time (up to millennia, in contrast to C deposited in topsoils), C increases at depth may have better long-term C sequestration potential than topsoils. However, the accrual, turnover, and stabilization of C in subsoils is a critical knowledge gap. We investigated a deeply rooted plant, switchgrass (Panicum virgatum), as a means of increasing carbon stocks in marginal and agricultural soils. We hypothesized that deep (>30 cm) SOC stocks would be greater under bioenergy crops relative to stocks under shallow-rooted conventional crop cover. To test this hypothesis, we compared soil depth profiles beneath deeply rooted switchgrass (cultivated for 4-30 years) and paired shallowrooted annual controls. We studied 12 field sites, 3 that were collected in 2018 before the start of the project as part a Department of Energy (DOE) Sustainable Biofuels study, and 9 that we collected in 2019 on a national field sampling campaign across the eastern US. In our publication from the 2018 study, which was written in collaboration with the LLNL Soil Microbiome Scientific Focus Area (SFA), we found that C stocks increased under switchgrass, but that the increases were dependent on soil texture. In the 2019 study, we found that carbon accrual tended to occur most consistently in low C soil in the southern US, which could indicate that perennial grasses may be a viable strategy to increase SOC in marginals soils in this region. We have published two studies from the 2019 sampling campaign thus far, we measured microbial growth parameters that will aid in modeling subsoil carbon cycling, and we found that switchgrass appears to move water upward in the soil profile and could promote drought tolerance, which a phenomenon commonly performed by trees known as ‘hydraulic redistribution;’ our study is the first to show this can occur in deep-rooted grasses. Finally, we published a modeling paper in collaboration with the LLNL Soil Microbiome SFA, where we found that poorly crystalline minerals are abundant and strongly correlated with organic C in geographically limited zones with enhanced weathering rates. Our results will inform technological development in the agricultural carbon sequestration sector as well as future negative emissions policies.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Root genetics in the field to understand drought adaptation and carbon sequestration (Final Scientific/Technical Report)

For all crop plants, roots play a critical role in growth. Roots anchor the plants, and are the primary site of nutrient and water uptake. Roots are also the main source of C to soil in the form of root tissues and exudates, and thus greatly influence SOM stocks. To perform these functions, primary roots extend into soil, producing a network of branching roots of characteristic form, known as its root system architecture (RSA). RSA varies among species, and among varieties within a species that are adapted to different environments. Root traits are major targets for the second green revolution because of their potential to improve crop productivity, increase drought tolerance and nutrient acquisition, and increase C capture of soil. Improving the quality of roots in maize will be particularly valuable, since this crop is planted on over 92 million acres annually in the US. The future sustainability of agricultural systems relies on their ability to enhance soil organic matter (SOM) storage and reduce GHG emissions, while maintaining or enhancing productivity. This program had two components, Sensors and Models. For the first component, we designed and built a high-throughput phenotyping platform for root pulling of maize plants. This eliminated the physical labor of manually pulling up plants and reduced the number of personnel required down to one. The standardized pulling mechanism allowed recording force curves during the pulling process, providing additional information. We validated that the maximum force for pulling the root system was well-correlated with the root system mass and provided root crowns for further RSA analysis. These root crowns identified significant correlations with 2D root area and root depth, along with 3D root volume, total root length and number of root tips. We then used this system for field-based studies in maize on the genetics of root system architecture and its relation to nitrogen-use efficiency (NUE), including using lines relevant to the Corteva breeding program. Varieties were also evaluated at Corteva sites in the cornbelt and Danforth farm in Missouri, to establish responses across sites. From these studies we have identified genetic loci associated with root traits and created mutant lines for these loci and correlations of root traits with NUE. For the Models component, we worked to incorporate root and soil characteristics into the MEMS 2.0 soil and ecosystem biogeochemical model. Existing soil C models, such as Century, are unable to represent specific root trait interactions with the soil environment and therefore to accurately forecast the potential C sequestration benefits of root breeding under different climatic and soil type conditions. We have developed the MEMS 2.0 ecosystem biogeochemical model to improve quantification of farm-scale soil carbon and greenhouse gas emissions. The new knowledge and large datasets produced by this project will be used to develop and drive an innovative model capable of forecasting the impacts on soil C stocks and nutrient dynamics. An innovation was to use the empirical data from the field studies (in 1, above) to model genetic variation in nitrogen use efficiencies and soil C input. Our work demonstrated that maize root-derived C rapidly replaces existing soil C and after 3 years of continuous maize, up to 20% of soil organic C in the topsoil (0-15cm) and 3% in the subsoil (15-30cm) was contributed by maize. However, this contribution did not entirely represent a net increase. Root C contribution to soil was affected by maize genetics. We have analyzed soils derived from the CSU field trials for C and N stocks, in the different soil physical fractions represented by the MEMS model, using both physical fractionation with elemental analyses, and Fourier transformed infrared spectroscopy. Data will be used to link crop nitrogen use efficiencies with soil C sequestration and provide data to bridge the field trials with the model development, for verification of model predictions. The project had a number of successful outcomes: we have used the new phenotyping platform to identify new genetic loci that can enhance root phenotypes; we have partnered with multiple maize seed companies phenotype varieties in their breeding programs; we have developed the MEMS model that can help inform industry on the potential for carbon sequestration in the agricultural sector, and which is now available at the CSU Soil Carbon Solutions Center for use.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Comparative techno-economic and environmental analysis of using nuclear energy and fossil energy with carbon sequestration in U.S. Gulf Coast petroleum refineries

U.S. Gulf Coast refineries have processing capacity of approximately 9.4 million barrels of crude oil per day—about 50% of U.S. national capacity—while consuming natural gas, electricity, and hydrogen, resulting in approximately 100 million metric tonnes (MMT) of onsite CO₂ emissions in 2022. This study evaluates two alternative refinery energy supply pathways: nuclear energy (NE) and fossil energy-derived hydrogen with carbon capture and sequestration (FE-CCS; autothermal reforming), intermittent renewable sources are not considered as they cannot reliably meet continuous industrial heat and hydrogen demands. Using publicly available data for refineries, we conducted a bottom-up, facility-level assessment to estimate energy use by type, well-to-gate refinery emissions, and associated costs of integration. Compared to current refinery operations using natural gas energy supply and conventional hydrogen production (steam methane reforming without sequestration), NE and FE-CCS could produce, respectively, average emissions reductions of 37% and 42%, total abatement costs of $\$$52–$\$$221 and $\$$211–$\$$612/MT CO₂, and additional costs of about $\$$0.2–$\$$6 and $\$$3–$\$$11 per barrel of crude, respectively. Our analysis indicates that 25 out of 27 refineries have lower total additional cost ($\$$/bbl.) for the NE scenario than the FE-CCS scenario, making a strong case for NE integration with petroleum refineries. This work's main contribution is a detailed bottom-up refinery-level analysis method that can be utilized by the worldwide refining industry and stakeholders as they assess different technological options, along with their costs and environmental impacts for a specific refinery operation.

Carbon capture and sequestration↗
DOE OSTI2020

Mobilization of trace metals from caprock and formation rocks at the Illinois Basin – Decatur Project demonstration site under geological carbon dioxide sequestration conditions

One concern for geologic CO 2 sequestration is the potential leakage of CO 2 or CO 2 -saturated brine containing trace metals into overlying aquifers, which poses the risk of adversely affecting underground sources of drinking water. In this work, rock and brine samples collected in the Illinois Basin – Decatur Project (IBDP), a large-scale geological CO 2 sequestration demonstration project in Decatur, Illinois, USA, as well as synthetic brine samples were used to understand the mobilization of trace metals as a result of CO 2 –rock–brine interactions under IBDP-specific conditions (50 °C and 20.6 MPa). Rock sample characterization indicated that, at the IBDP site, trace metal concentrations were greatest in cap rock samples from the Eau Claire Formation, compared with those from formations above and below this Formation. The natural brine samples collected from the Mt. Simon Sandstone reservoir were highly reducing and saline, with trace metal concentrations up to 680 times greater than the U.S. Environmental Protection Agency-prescribed drinking water standards. Batch leaching experiments indicated that both trace metal mobilization from rock and immobilization from the brine occurred when high-pressure CO 2 was introduced into the rock-brine system. The amounts of metals mobilized from the rock generally accounted for <5% of the total metals in the rock, but for some metals, including Ni, Pb, and Tl, up to 63% of the metals in the rock were mobilized to the brine. Leaching of trace metals into synthetic brines was different from that into the natural brine. The results of this study provided current information on the trace element sources and will help in risk simulations and experimental design to further evaluate potential impact of leakage on groundwater quality, which is important for future GCS projects to consider for monitoring and containment assurance purposes.

58 GEOSCIENCES↗
DOE OSTI2023

Pore-scale simulation of multiphase flow and reactive transport processes involved in geologic carbon sequestration

Multiphase flow and reactive transport are two essential physicochemical processes that govern the effectiveness of geological carbon sequestration (GCS). The interaction and feedback among different phases and components during intricate physicochemical processes hold great significance in understanding CO 2 sequestration. Pore-scale simulations can account for multiphase flow and reactive transport processes in porous media and obtain spatial distributions of parameters (density, velocity, concentration, etc.) in the pore space as well as their temporal evolutions. This proves especially valuable considering that experiments can be hindered by constraints in spatial and temporal resolution. The comprehensive insights garnered from pore-scale research can be leveraged for continuum modeling using the representative elementary volume (REV) concept. In this contribution, four sequential mechanisms of CO 2 -brine-rock interaction in three zones delineated by CO 2 saturation are elaborated to elucidate complicated physicochemical processes involved in GCS, which are followed by general descriptions of mathematical equations and pore-scale numerical methods. In addition, as interested and commonly encountered processes, leakage risks during GCS and CO 2 -enhanced oil recovery (CO 2 -EOR) processes are presented. The existing challenges and future directions are discussed for both the performance of the pore-scale models and the current gaps in the field of GCS. Importantly, we expect that this review will prove beneficial for researchers interested in pore-scale simulations, GCS, and related disciplines.

58 GEOSCIENCES↗