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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantifying the Potential Atmospheric Leakage Risks Associated With the Geologic Storage of CO 2 in Saline Aquifers for Use in Voluntary Carbon Market Buffer Account Determination

Conference paper presented at 17th International Conference on Greenhouse Gas Control Technologies (GHGT-17), Calgary, Alberta, Canada, October 20–24, 2024. This paper presents the results of a detailed study into the potential atmospheric leakage risks associated with the geologic storage of CO 2 in saline aquifers. This study included a detailed literature review, a re-creation of existing CO 2 leakage models put forth by other authors and, lastly, the development of an enhanced model that can be utilized for assessing the potential losses to the atmosphere of stored CO 2 across a variety of potential project parameters. The results of this study indicate that, across broad ranges of input parameters for mechanisms that have the potential for CO 2 loss from the storage complex to the atmosphere, there is an extremely low risk of CO 2 leakage to the atmosphere, with the median leakage risk estimated to be 0.1% of total injected CO 2 . The risk of leakage from real-world storage projects is likely to be even lower than those estimated through this study.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

An integrated process for butanol production from cellulosic biomass and CO 2 using engineered clostridia in a linear immobilized bioreactor

Engineered platforms using mixed microbial consortia to consolidate multiple reaction steps and perform disparate conversions simultaneously can substantially enhance the carbon efficiency of biomass conversion processes and lower the biofuel cost to an economically competitive level. In this project, an integrated process will be developed to produce n-butanol from cellulosic biomass and waste gas streams using two engineered clostridial strains, one butanol-tolerant solventogenic strain and one carboxydotrophic acetogen, co-immobilized in a “Linear Immobilized Bioreactor” (LIBR). The CO 2 and H 2 produced by the solventogenic strain will be used by the carboxydotrophic strain to produce acetate (and butyrate) that in turns can be used by the solventogenic strain to produce more butanol. Such a co-cultured fermentation has the potential to increase butanol production from biomass hydrolysate sugars by up to 50% with 100% reduction in CO 2 emission. Butanol produced in the fermentation will be stripped by the rising bubbles of fermentation produced gases (CO 2 and H 2 ) in the LIBR and separated via a condenser, alleviating butanol inhibition while achieving continuous butanol production at a high productivity and product titer, which can reduce both water and energy consumptions by over 50% compared to conventional ethanol and ABE fermentation processes. Phase I study proved the new bioprocess concept and verified our hypothesis that the proposed LIBR and co-cultured fermentation can enhance the conversion of lignocellulosic sugars to butanol with higher butanol yield, productivity and titer, leading to reduced biobutanol cost to compete more favorably with bioethanol and fossil fuels. A prototype lab-scale LIBR for multiphase fermentation was constructed to investigate and demonstrate the technical feasibility and advantages of the LIBR for multiphase fermentation involving sugars and gaseous substrates. The LIBR will be optimized and evaluated for its economic feasibility for biobutanol production from lignocellulosic biomass and industrial waste gases in Phase II.

09 BIOMASS FUELS↗
DOE OSTI2020

Management of Risk and Uncertainty Through Optimized Co-Operation of Transmission Systems and Microgrids with Responsive Loads (Final Report)

The evolution of the power system to the reliable, efficient and sustainable system of the future will involve development of both demand- and supply-side technology and operations. Ambitious national and state-level goals around the decarbonization of electricity relies on the integration of very high levels of renewable resources, most of which are variable and intermittent. The use of demand response is an ideal approach to counterbalance the intermittency of renewable generation and brings the consumer into the spotlight. Until recently, very little research had been conducted on the co-optimization of these two systems due to computational limitations. However, advances in computational capabilities, and the judicious use of decomposition methods and innovative approximation methods for high-dimension dynamic programming made this goal a viable objective for this project, leading to a fundamental shift in the ability to integrate and fully utilize demand-side resources. To this end, the modeling framework developed introduces a novel co-optimization framework, to include the operations of both the transmission and distribution systems (or microgrids) in operational decision making. This framework was used to analyze renewable and distributed generation along with responsive demand and to compare the capability of co-optimized systems to perform with higher levels of variable renewables. Results show that the use of a bi-level optimization approach is an appropriate structure, capable of co-optimizing a transmission system with multiple distribution systems and microgrids. While increasing the number of connected systems provides increasing flexibility for renewables integration this can also the economic benefits to the low-voltage subsystems with each additional system connected. Comparison of a traditional single-level decision structure with the co-optimization approach illustrates a reduction in overall system cost under co-optimization, while specific cost allocations to transmission and distribution systems are changed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Geologic Characterization for CO 2 Storage with Enhanced Oil Recovery in Northern Michigan

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. This report compiles the results of geologic characterization of late-stage reefs, active EOR reefs, and new EOR reefs in the Northern Niagaran Pinnacle Reef Trend (NNPRT) in Michigan to demonstrate developed methodologies, geologic variability, and reservoir potential for CO 2 storage. Conducting CO 2 injection and monitoring in these settings provide significant insights for addressing the project objectives: assessment of injectivity in complex carbonate reef deposits; assessing CO 2 trapping mechanisms in a closed reservoir system; assessing any final oil recovery from transitional or residual oil zones in a field where CO 2 flooding is nearing completion; evaluating the transition from EOR to storage of CO 2 ; assessing regional commercialization; assessing new technologies for tracking CO 2 , brine, and oil movements underground; and monitoring options in a closed reservoir with oil, residual oil, and water zones.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Conversion of CO 2 into Synthetic Graphite

Carbon Dioxide (CO 2 ) can be utilized as a source for producing synthetic graphite. Our method converts CO 2 into solid carbon. These CO 2 -sourced solid carbon have an anisotropic property that allow them to be graphitized into synthetic graphite. Our patented thermal catalytic process uses carbon dioxide and hydrogen as the feedstocks for the reaction, producing solid carbon material, with distilled water as the sole byproduct. The process is designed as a closed loop, where all feedstock gases entering the reactor are converted into durable bulk carbons and water, with no emissions. These carbons materials can be sintered into a solid structure and then thermally annealed, taking the carbon atoms from a disordered state to a highly ordered state of graphitic material – producing synthetic graphite structures. Phase 1 will prove that these bulk carbons can be sintered into a machinable solid carbon structure, which will then be annealed into a fully graphitic solid structure. Standard analytics will be done to verify the extent of graphitization (Raman, XRD). Proving this CO 2 -sourced carbon pathway to synthetic graphite structures will give the US a domestic supply route for this critical material and remove reliance on foreign sources. In addition, since the synthetic graphite structure is made from CO 2 -sourced carbon, this is also a method to mitigate CO 2 . Graphite structures are used in high temperature and high friction applications, for example, as anodes for steel refining, for brake pad linings, as neutron reflectors in nuclear reactors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Nano-Engineered Catalyst Supported on Ceramic Hollow Fibers for the Utilization of CO 2 in Dry Reforming to Produce Syngas

The objective of this project was to develop a novel catalytic reactor containing nano-engineered catalysts for the utilization of CO 2 (captured from coal-fired power plants and other CO 2 emitting sources) in dry methane reforming (DMR) (CO 2 + CH 4 → 2 H 2 + 2 CO) to produce synthesis gas (syngas). The technology aims to reduce CO2 emissions by developing beneficial uses for CO 2 from coal-fired power plants. It also offers an alternative to mitigate CO 2 emissions in areas where geologic storage may not be an optimal solution and/or utilization could significantly offset the costs of carbon capture and sequestration. The nano-engineered Ni-based catalyst was prepared by atomic layer deposition (ALD). The Ni particles were as small as ~2-4 nm. The nano-engineered catalyst showed CH 4 conversion >95%, H 2 /CO ratio in the range of 0.7-1.0, and CH 4 reforming rate as high as 2,500 L/h/gNi at 850 ºC and pressure of 15-25 psia. The Ni-based ALD catalyst also showed good stability in DMR reaction during a 200-h continuous operation at 850 °C. This is due to strong bonding between the nanoparticles and substrates since the Ni nanoparticles were chemically bonded to the substrate during the ALD process. The high thermal stability maintains the high dispersion of Ni nanoparticles, which can inhibit coke formation because their step edges are small enough to limit carbon nucleation and growth. Technoeconomic analysis (TEA) indicates the levelized cost of syngas (LCOS) is $172/ton with our technology, which is lower than the equivalent (molar) cost of hydrogen produced by steam methane reforming (SMR) or autothermal reforming (ATR). The major operating cost is natural gas feed and fuel, and the levelized cost is highly sensitive to the price of natural gas and relatively insensitive to the CAPEX. Revenues from syngas could have a significant impact on the net cost of electricity (COE), depending on the cost of natural gas and the selling price of syngas, estimated at $36 per MWh if the syngas were sold at $195 per ton. Following DOE NETL’s guidance, a lifecycle analysis (LCA) was conducted to compare with SMR. The functional unit for the basis of comparison was defined as 1kg carbon monoxide in the product stream. The global warming potential (GWP) of our process was found to be 40% lower than the state-of-the-art SMR process. The sensitivity analysis confirms the emissions are most sensitive to the natural gas fuel requirements to deliver heat to the process.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Summary Report of the Reactive CO 2 Capture: Process Integration for the New Carbon Economy Workshop, February 18-19, 2020

This report provides a summary of feedback from the “Reactive CO 2 Capture: Process Integration for the New Carbon Economy” workshop held February 18-19, 2020. The focus of this workshop was to discuss approaches for merging carbon dioxide (CO 2 ) capture and CO 2 conversion/utilization systems into an integrated "reactive capture" strategy. By the workshop’s definition, reactive capture (RC) of CO 2 is the coupled process of capturing CO 2 from a mixed gas stream and converting it into a valuable product without going through a purified CO 2 intermediate. Participants were able to identify four key themes and associated calls to action for the reactive capture community: (1) essential role of partnerships; (2) critical challenges; (3) defining the value proposition; and (4) approach to support technological advancement.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

CO 2 and Renewable Electricity into Chemicals: Formic Acid Production from Coal Flue Gas

Formic acid (FA) is an industrial chemical. It is used as a preservative for silage, as a digestive aid for animals, as a fluid for fracking, as a pharmaceutical intermediate and in leather tanning. The global formic acid market is valued at 777.4 million USD in 2020 and is expected to reach 851.8 million USD by the end of 2026. A new major formic acid application is the use of formic acid as a key feedstock for the bioprocessing industry. It has the potential to grow tremendously if we can lower the cost of formic acid production compared with the current fossil-fuel one. Recently, Dioxide Materials has developed a technology that can directly convert CO 2 to pure formic acid with a three-compartment CO 2 electrolyzer. However, the electrolyzer performance needs further improvement for the technology to be commercially viable. The major objective of this project is to develop the electrolyzer technology to enable formic acid as a feedstock for the bioprocessing industry to be economically manufactured from flue gas from a coal fired pilot plant. In particular, the project is to understand how to run the electrolyzer for the conversion of CO 2 into formic acid using flue gas from a coal fired power plant as a source of CO 2 . The work will include characterizing how the performance of the electrolyzer changes with low CO 2 concentration and impurities, developing new cell designs that can still operate with feedstocks with low CO 2 concentrations, testing simulated flue gas in the electrolyzer system and developing filters to remove any impurities that arise.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Parametric Study to Assess Technical Prospect Feasibility for Offshore CO 2 Storage

This report is a white paper on the parametric study to assess technical prospect feasibility for CO 2 storage with and without CO 2 -EOR. The SECARB Offshore GOM team reviewed key parameters that previous modeling experience suggests have the largest impact on CO 2 plume size and CO 2 -EOR performance (SSEB, 2019) These parameters include tectonic impacts (reservoir dip and fault block size), reservoir properties (permeability) and development strategies (well field payout, waterflood, and CO 2 flooding strategies). These parameters are further evaluated in this study in order to identify upper and lower boundary conditions for the parametric values. The boundary conditions are needed to set constraints for key parameters when performing modeling assessments. Understanding the key parametric values for the GOM will facilitate locating successful offshore carbon capture utilization and storage (CCUS) projects in terms of plume size, CO 2 stored and, in the case of EOR, oil recovery. Importantly, this white paper focuses on both technical factors (geologic and engineering), but does not address economic, commercial, or stakeholder considerations. The report is organized into four sections and includes a review of the datasets used to define the parameter ranges, the results of a full-physics reservoir simulation, a summary of a reduced order modeling approach to evaluate the impact of the study parameters, and, finally, a discussion of the work that will occur during the next phase of the project.

02 PETROLEUM↗
DOE OSTI2022

Benefit Analysis of CO 2 Delivery Options for Offshore Storage or Enhanced Oil Recovery

The analysis presented in this report evaluates the benefits of CO₂ offshore transport via pipeline or ship within the GOM. It takes a top-down framework to estimate the costs. First, this analysis designed a reduced-order model (ROM) based on the cash flows in the FECM/NETL CO₂ Transport Cost Model (also known as CO2_T_COM). The ROM takes capital expenses (CAPEX) and operating expenses (OPEX) to calculate the CO₂ breakeven price based on the cash flows. Second, this analysis developed regression models utilizing published data from other analyses to estimate CAPEX and OPEX. Since the ROM is a simplified cash flow calculation, it is easy to exchange the core regression models to estimate various costs. The ROM and regression models provided a framework that can be easily used by other researchers, decision-makers, operators, and regulators. The objective of this analysis is to assess the CO₂ breakeven cost range for pipeline and ship transport of captured CO₂ given the CO₂ source and storage reservoir located in the GOM.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Cost of Capturing CO 2 from Industrial Sources

This systems analysis by the National Energy Technology Laboratory's Strategic Systems Analysis and Engineering directorate) evaluates the cost and performance impacts of capturing CO 2 emissions from nine industrial sources (ammonia, ethylene oxide, and ethanol production, natural gas process, coal- and gas-to-liquids, refinery hydrogen production, iron and steel, and cement manufacturing). The industrial sectors examined are segregated according to the CO 2 purity level of the flue gas stream, prior to treatment. Certain sectors naturally produce a gas stream that is inherently high in CO 2 purity, and these sectors can achieve 99-100% removal. Other sectors produce a lower purity CO 2 flue gas stream and achieving 90-99% removal requires deeper levels of treatment, adding cost. In addition to the report that documents the analysis, a Carbon Capture Retrofit Database tool was also created that allows users to apply CO 2 capture to selected industries, to evaluate the cost of capture and compare across multiple plants, as well as across different industries. Users have the ability to change select input parameters (such as fuel price, capture rate, and financing assumptions) to evaluate the impact on industrial CO 2 capture economics.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

LH CO 2 MENT Colorado Project (Final Report)

The objective of Electricore’s pre-FEED project “LH CO 2 MENT COLORADO PROJECT” is to accelerate the implementation of a 1.5 million tonnes per year (TPY), and first-of-a-kind (FOAK) at world scale, Svante VeloxoTherm™ carbon capture plant. This project represents a quantum leap to a large-scale facility that will launch Svante’s carbon capture technology into the next era of accomplishments and market acceptance. By completing the Front-End Loading (FEL) Feasibility Study Report (FEL-2) for a fit-for-purpose design at the HOLCIM cement plant, located near Florence Colorado, USA, this technology can be proven as the future of large-scale deployment for carbon capture and storage. This carbon capture plant was designed with the goal of reaching a target of near Net Zero Emissions by capturing 90% of the carbon dioxide (CO 2 ) emissions from the HOLCIM cement plant and from the boiler which produces steam required to regenerate the adsorbent. Additionally, this project will be leveraging a renewable Power Purchase Agreement (PPA) using solar energy to acquire power at the target price of 0.04 $/kWh or less. In its current configuration CO 2 emissions from the HOLCIM cement plant is around 700 – 800 kg/ton of clinker produced. The proposed new carbon capture plant will allow a reduction of CO 2 emissions to about 100 kg/ton of clinker produced. The scope of work consists of the process design and capital & operating cost estimation (Class IV) for a total plant capacity of 4,750 TPD of pipeline grade CO 2 . The Svante VeloxoTherm™ technology is comprised of a Rotary Adsorption Machine (RAM) for intensified Thermal Swing Adsorption (TSA) using Structured Adsorbent Beds (SABs) and related Balance of Plant (BOP), including CO 2 compression. A business case (financial analysis) evaluation has been undertaken for the Owner’s management review. Recommendations on how best to proceed to the next stage of the project have been conveyed and are documented within this report. This analysis has relied on a detailed and comprehensive Project Financial Model, evaluating the Total Project IRR (after tax, unlevered, and including all forecast 45Q PTCs and 100% tax efficiency) – the project financial analysis (as opposed to standard TEA analysis) only considered a 12 year plant economic lifetime as a result of 45Q being the sole driver considered at this stage. The Total Project IRR was evaluated across a large number of potential scenarios. The evaluation demonstrated that if the 45Q PTD is increased to $85/MT for sequestration, there are a large number of feasible scenarios which demonstrate economic returns.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Integration of seismic-pressure-petrophysics inversion of continuous active-seismic monitoring data for monitoring and quantifying CO 2 plume (Final Report)

The overall objective of this project is to develop and validate an integrated package of joint seismic-pressure-petrophysics inversion (jSPPI) of continuous active-source seismic monitoring dataset capable of providing real-time monitoring of CO 2 plume during geologic carbon sequestration (GCS). The three specific developments include: (a) the methodologies for fast seismic full waveform inversion of continuous active source seismic monitoring, (CASSM) datasets for simultaneously estimating velocity and attenuation, and with data assimilation; (b) joint Bayesian petrophysical inversion of seismic models and pressure data for providing and updating CO 2 saturation models; (c) the methods using multiple datasets including (Crainfield and Frio-II borehole) synthetic, laboratory, and field CASSM datasets. The outcomes of jSPPI include (a) a workflow for processing CASSM data, (b) Bayesian inversion algorithms using CASSM data and pressure response data, and (c) integration with data assimilation algorithms for continuously updating site-specific models used for prediction and reservoir management. The validation of joint FWI will be conducted using synthetic models based on the Cranfield and Frio experiments as well as field CASSM datasets collected as part of the Frio-II pilot injection. To quantify and map the mass and distribution of CO 2 (saturation), we will jointly invert velocity and attenuation measurements from the FWI with a Bayesian approach using a rock physics model for attenuation (e.g., White’s attenuation model with two selected patch sizes (White, 1976; Dutta and Seriff, 1979)). The Bayesian inversion will be applied to each time step in the CASSM survey in an updating scheme, which integrates with an ensemble of reservoir simulations at each step. A more complete experimental validation dataset will be collected as part of a mesoscale (2-3 m) gas-CO 2 injection experiment utilizing a higher frequency version of the CASSM system developed for laboratory studies; the integrated inversion will be demonstrated using this dataset which will provide both a dense geometry as well as more precise secondary confirmation measurements (e.g. saturation) typically not available in the field. The resulting real-time map of CO 2 saturation is able to provide a deeper scientific understanding of the complex, time-varying dynamics of subsurface fluid flow migration path as well as the rapid detection of CO 2 leakage hazards.

25 ENERGY STORAGE↗
DOE OSTI2023

Efficiency and Demand Flexibility in Large Office Buildings: The Potential for Cost Savings and CO 2 Reductions from Lighting and Cooling Measures

This report presents the estimated impact of lighting and cooling efficiency and demand flexibility measures in large office buildings in each state in the contiguous United States. It provides modeled results for three different metrics: bill savings, regional grid operational costs savings, and carbon dioxide (CO 2 ) emissions reductions. Lighting efficiency and demand flexibility are estimated to reduce load by up to 80 MWh/yr in a single large office building. These load reductions result in customer bill savings of up to $8,800/yr per building, with the highest savings in southern and midwestern states. Grid operating cost savings are estimated at up to $3,240/yr/building, with greatest benefit in southern and northeastern states. CO 2 emissions reduction potential is highest in the Dakotas, Nebraska, across the Midwest, in West Virginia, and in Mississippi (<48,200 kg/yr/building). Comparatively, cooling measures are found to have less load reduction potential (<28.5 MWh/yr/building), with the greatest potential in southern states including Texas, which ranks top of the list across several of the metrics studied. In numerous states, shifting cooling load to off-peak hours is found to increase costs and CO 2 emissions because precooling results in increased load during high-cost or high-CO 2 emissions periods. In general, focusing on cooling efficiency and load shedding has the potential for more savings. In all cases, the specific rate structure is a significant determinant in actual bill savings, which are up to $4,000/yr/building. To realize the full potential for bill savings through an energy measure, building operators must identify how the measure will change the building load pattern and the interaction of this load change with the applicable rate tariff. To realize CO 2 emissions reductions, industry and state coordination is needed to verify which fuel source is on the margin and then to create incentives for end users to reduce load during high-CO 2 emissions hours. Regular updates to data sets and analyses are critical. Regulators and policymakers are well positioned to facilitate the necessary coordination between the electric industry and building energy managers to develop appropriate price signals and incentives.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Modification of CO 2 /H 2 O selectivity of polymer for carbon capture materials

Today, the atmospheric carbon dioxide (CO 2 ) concentration is 421ppm, over one hundred ppm higher than it was at any point in the last 800,000 years (NASA, 2023). Multiple strategies are necessary to reduce the presence of carbon dioxide in the atmosphere. Besides limiting CO 2 output, carbon capture technology is essential to reduce the overall amount of CO 2 . The Microencapsulated CO 2 Sorbents (MECS) team at Lawrence Livermore National laboratory has developed technologies that can capture CO 2 inside microcapsules, where it can be temporarily stored and later released. In 2017, the commercial potential of these microcapsules was recognized. The brewing industry only requires about one third of the CO 2 it releases for carbonization and packaging, which Congwang Ye and Lionel Keene learned when they met with leaders of small breweries in Colorado to discuss employing carbon capture microcapsules in their processes to reduce their carbon footprint and production costs (Thomas, 2017). The breweries were interested in the technology, but the existing microcapsules require hydration, which is an expensive process for small brewers. In order to develop the microcapsules so they can be commercialized, it is essential to reduce their water loss to improve efficiency and reduce costs for the customers. One method to resolve this issue is to alter the membrane formulation by adding a material that is known to be hydrophobic to decrease the water permeability of the entire membrane. The goal of this project was to study the effect of dispersing a nanomaterial in the polymer membrane shells of microcapsules on the water vapor and carbon dioxide permeability of the membranes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Assessing the Impacts of CO 2 Reduction and Utilization Technologies on Regional Freshwater Resources

This work, a product of the Bioenergy Technologies Office (BETO)-supported multi-lab CO 2 Reduction and Upgrading for e-Fuels Consortium (CO 2 RUe), focuses on advanced research and development and cross-cutting evaluation of environmental, economic, and social sustainability for CO 2 reduction and upgrading for fuels and chemicals. The Consortium develops and de-risks advanced technologies that use renewable electricity to convert CO 2 into e-fuels and commodity chemicals. One key aspect of environmental sustainability consideration is water resources. This report summarizes a three-year study that analyzed the impacts of water consumption in select CO 2 reduction and utilization technologies in two future scenarios using a pair of water indices—water availability index and water stress footprint. The analyses also account for projected electricity grid mixes and their water withdrawal and water consumption demand in grid regions. The work identifies drivers, challenges, and critical areas in water sustainability, along with valuable insights into technological and regional factors. The study also explores the potential of using non-traditional water resources to reduce water stress and increase availability. These findings are intended to support industry stakeholders and BETO with the knowledge needed for informed decision-making, contributing to strategies to mitigate risks associated with the implementation of CO 2 utilization technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Design of CO 2 Selective Type 3 Porous Liquids Through Porous Host Morphology

Direct air capture (DAC) of CO 2 is a negative emission technology under development to limit the impacts of climate change. The dilute concentration of CO 2 in the atmosphere (~400 ppm) requires new materials for carbon capture with increased CO 2 selectivity that is not met with current carbon capture materials. Porous liquids (PLs) are an emerging candidate for carbon capture and consists of a combination of solvents and porous hosts that creates a liquid with permanent porosity. The fundamental mechanisms of carbon capture in a PL are relatively unknown. To uncover these mechanisms, PLs were synthesized consisting of three different zeolitic-imidazolate framework (ZIF-8, ZIF-67, or ZIF-69) porous host in a water/glycol/2-methylimidazole solvent. The most stable composition was based on ZIF-8 and exhibited carbon capture following exposure to CO 2 . Density functional theory identified a three-step carbon capture mechanism based on (i) reaction of OH- with ethylene glycol in the solution followed by (ii) formation of 2-hydroxyethyl carbonate, which (iii) further react with OH- to form a carbonate species. This mechanism was validated with experimental nuclear magnetic resonance spectroscopy (NMR) to identify the dissolved carbonate phases and the decrease in the pH during CO 2 exposure. Deuterated samples of the ZIF-8 PLs were synthesized and analyzed via neutron diffraction at the Spallation Neutron Sources at Oak Ridge National Laboratory. Results identified differences in diffraction for PLs pre- and post-CO 2 exposure that will be combined with ab initio molecular dynamics data of the same PL composition to identify how the presence of a solvent-porous host interfaces results in carbon capture.

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

Assessing the Impacts of CO 2 Reduction and Utilization Technologies on Regional Freshwater Resources

This work, a product of the Bioenergy Technologies Office (BETO)-supported multi-lab CO 2 Reduction and Upgrading for e-Fuels Consortium (CO 2 RUe), focuses on advanced research and development and cross-cutting evaluation of environmental, economic, and social sustainability for CO 2 reduction and upgrading for fuels and chemicals. The Consortium develops and de-risks advanced technologies that use renewable electricity to convert CO 2 into e-fuels and commodity chemicals. One key aspect of environmental sustainability consideration is water resources. This report summarizes a three-year study that analyzed the impacts of water consumption in select CO 2 reduction and utilization technologies in two future scenarios using a pair of water indices—water availability index and water stress footprint. The analyses also account for projected electricity grid mixes and their water withdrawal and water consumption demand in grid regions. The work identifies drivers, challenges, and critical areas in water sustainability, along with valuable insights into technological and regional factors. The study also explores the potential of using non-traditional water resources to reduce water stress and increase availability. These findings are intended to support industry stakeholders and BETO with the knowledge needed for informed decision-making, contributing to strategies to mitigate risks associated with the implementation of CO 2 utilization technologies.

09 BIOMASS FUELS↗