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At least 541 records · Page 30

Basin-scale analysis of Mokelumne River Formation for multi-well CO 2 injection

Large-scale carbon sequestration will likely require multiple projects injecting CO 2 into the same subsurface formation, raising concerns about safe operation and efficient use of storage capacity. This study evaluates the long-term response of the Mokelumne River Formation in California’s Sacramento Basin to multi-megaton CO 2 injection using three geologic models of the formation and the open-source simulator GEOS. The analysis focuses on three aspects of reservoir performance: (1) average pressure increase and dissolved CO 2 mass after 30 years for varying well counts and injection rates, (2) pressure interference in a multi-well configuration, and (3) dynamic storage capacity with identification of overpressure-prone regions. The results show that average formation pressure increases linearly with injected mass, while CO 2 dissolution exhibits mixed scaling: approximately linear with the number of wells but sublinear with injection rate, indicating that distributing injection across more wells enhances dissolution more effectively than increasing per-well rates. Pressure-interference effects are significant, with lower-permeability conditions delaying their onset but amplifying their magnitude at later times. Dynamic capacity, defined by the first occurrence of pressure exceeding the local overburden-based limit anywhere in the formation, varies across geologic models and assumed overburden pressure gradients. A lower fidelity geologic model predicts nearly twice the storage capacity of the two higher fidelity models, which consistently estimate approximately 1 Gt under the upper-bound overburden pressure gradient considered for the Sacramento Basin. In all model scenarios, overpressure develops away from injection wells, particularly in higher-elevation regions, highlighting the importance of basin-scale modelling for identifying risks beyond the immediate well vicinity.

Basin-scale↗

On Caprock Seal Integrity of Tuscaloosa Mudstone at Cranfield, MS (USA), CO 2 Injection Site

Saline formations deep underground are among the most promising targets for large-scale geologic carbon storage. The caprock seal integrity evaluation is an important component of commercial-scale CO 2 sequestration projects. Measurements of the porosity and permeability of mudstone samples from the NETL-supported Cranfield Project were performed using a helium porosimeter and a core flow apparatus, before and after exposure in a CO 2 -saturated brine environment. The permeability of the core samples rapidly decreased with the increase in confining pressure and did not fully recover after decompression. On the other hand, exposure to CO 2 led to an increase in the permeability by at least an order of magnitude. The porosity changes after the exposure were not substantial. The post-exposure increase in permeability was subsequently offset by its rapid decrease during the higher-pressure confinement. Extrapolation of the observed permeability trends to in situ reservoir conditions suggests that Tuscaloosa mudstone can effectively serve as a natural seal.

58 GEOSCIENCES↗

Carbon management technology pathways for reaching a U.S. Economy-Wide net-Zero emissions goal

The Carbon Management Study Group of the 37 th Energy Modeling Forum (EMF 37) designed seven scenarios to explore the role of three potentially key technology suites – point source carbon dioxide capture and storage (PSCCS), direct air capture of carbon dioxide (DACCS), and hydrogen systems (H 2 ) – in shaping the broader technology pathways to reaching net-zero carbon dioxide (CO 2 ) emissions in United States by 2050. Each scenario was run by up to 13 models participating in the EMF 37 study. Results show that carbon dioxide removal technologies were consistently a major part of successful pathways to net-zero U.S. CO 2 emissions in 2050. Achieving this net-zero CO 2 goal without any form of carbon dioxide capture and storage was found to be impossible for most models; some models also found it impossible to reach net-zero without DACCS. The marginal cost of achieving net-zero CO 2 emissions in 2050 was between two and 10 times higher without PSCCS and/or DACCS available. The carbon price at which DACCS was deployed as a backstop technology depended upon the assumed cost at which DACCS was available at scale. Carbon prices were between $\$$250 and $\$$500 per ton CO 2 when DACCS deployed as a backstop. The average CO 2 capture rate across all models in 2050 in the central net-zero scenario was 1.3 GtCO 2 /year, which implies a substantial upscaling of capacity to move and store CO 2 . Finally, hydrogen sensitivity scenarios showed that H 2 typically constituted a relatively small share of the overall U.S. energy system; however, H 2 deployed in applications that are considered hard to decarbonize, facilitating transition towards net-zero emissions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Impact of aquifer properties on the extent and timeline of CO 2 trapping

Abstract Geologic CO 2 sequestration in porous saline aquifers is a promising approach to reducing atmospheric concentrations of CO 2 . Reactive transport simulations provide the opportunity to analyze which factors influence geochemical reactivity in the reservoir, understand those most important for promoting CO 2 trapping, and assess individual sites. Field‐scale aquifer characterization is time and resource intensive such that here, reactive transport simulations are leveraged to enhance understanding of selected aquifer properties including porosity, permeability, depth of storage, and carbonate mineralogy on the overall CO 2 trapping potential to better select sites promoting geochemical reactivity for CO 2 trapping. There are different mechanisms for sequestrating CO 2 . Once injected, CO 2 will dissolve into the brine to create an acidic environment, resulting in the dissolution of pre‐injection formation minerals. Released ions can reprecipitate as secondary minerals. The dissolved CO 2 and mineralized CO 2 are considered as a more secure form of CO 2 trapping in this study compared to the free supercritical CO 2 . Here, a framework leveraging a controlled set of field scale simulations is developed to facilitate rapid, optimized site selection. Simulations vary aquifer properties to understand the impact of each unique property on CO 2 trapping, tracking, and comparing the amount of supercritical, aqueous, and mineralized CO 2 . The rate at which the CO 2 injected into the aquifer is converted to aqueous or mineralized CO 2 is newly defined here as the sequestration efficiency and used to compare simulation results. The reservoir depth and fraction of carbonate minerals in the formation are shown to be more important factors than reservoir porosity and permeability in affecting CO 2 trapping. However, the impact of aquifer properties on the evolution of injected CO 2 depends on the stage of the sequestration project. © 2023 Society of Chemical Industry and John Wiley & Sons, Ltd.

Energy & Fuels↗

Insights into the Enhanced Oxidative Thermal Stability of Nanoparticle Organic Hybrid Materials Developed for Carbon Capture and Energy Storage

Due to the growing need for Direct Air Capture (DAC) and integrated carbon capture and conversion technologies, CO 2 capture materials that can withstand a wide range of environmental conditions, including fluctuating ambient temperatures and high concentrations of oxidizing agents (i.e., oxygen and moisture), are critically needed. Liquid-like Nanoparticle Organic Hybrid Materials (NOHMs) have been proposed as candidates for DAC and electrolyte additives enabling sustainable energy storage (i.e., integrated CO 2 capture and conversion and flow batteries). Liquid-like NOHMs functionalized with an ionic bond have been shown to display greatly enhanced oxidative thermal stability compared to the untethered polymer. However, these studies were limited in terms of reaction conditions and the detailed mechanisms of the oxidative thermal degradation were not reported. In this work, a kinetic thermal degradation analysis was performed on NOHM-I-HPE and the neat polymer, Jeffamine M2070 (HPE), in both non-oxidative and oxidative conditions. NOHM-I-HPE displayed similar thermal stability to the untethered polymer in a nitrogen environment, but interestingly, the thermal stability of the ionically tethered polymer was significantly enhanced in the presence of air. This observed enhancement of oxidative thermal stability is attributed to the orders of magnitude larger viscosity of the liquid-like NOHMs compared to untethered polymer and the bond stabilization of the ionically tethered polymer in the NOHMs canopy. Further, spectroscopic analyses of the liquid residue revealed that in the presence of oxygen, the degradation of HPE and NOHM-I-HPE occurs through the formation of trace amounts of carbonyls. This study illustrated that NOHMs can serve as functional materials for sustainable energy storage applications because of their excellent oxidative thermal stability.

25 ENERGY STORAGE↗

Emerging investigator series: kinetics of diopside reactivity for carbon mineralization in mafic–ultramafic rocks

The ongoing use of fossil fuels to supply modern energy demands has necessitated research on combating carbon dioxide (CO 2 ) emissions and climate change. Carbon storage via mineral trapping in basalt and related rocks is a promising strategy. However, mineralization rates depend on the variable minerology that makes up these rock formations. Diopside (CaMgSi 2 O 6 ) is a common pyroxene mineral in ultramafic and mafic rocks including basalt, but relatively little work has been done to understand its carbon mineralization kinetics using hydrated supercritical CO 2 , which induces the formation of reactive nanoscale interfacial water films. Here, in situ XRD experiments at 50–110 °C and 90 bar indicate that diopside transforms into a myriad of Mg/Ca carbonates, including huntite [Mg 3 Ca(CO 3 ) 4 ] and very high magnesium calcite (VHMC, i.e., protodolomite). Through ex situ characterization, we were able to constrain reaction pathways for the dissolution–precipitation transformation process including metastable intermediate precipitates. Experiments performed at variable temperatures enabled Avrami-derived rate constants and an apparent activation energy of 97 ± 16 kJ mol –1 , implying the dissolution of diopside is the rate-limiting step. Density functional theory (DFT) calculations, used to gain molecular insight into the surface stability of the diopside during dissolution, suggest that exposed calcium cations are susceptible to dissolution when put in contact with water given their coordination environment. The collective results point to the high CO 2 mineralization potential of diopside in basalts, which could help guide parameterization of reactive transport models needed to design and permit commercial-scale subsurface carbon storage operations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Oxidation Chemistry of Bicarbonate and Peroxybicarbonate: Implications for Carbonate Management in Energy Storage

Carbonate formation presents a major challenge to energy storage applications based on low-temperature CO 2 electrolysis and recyclable metal–air batteries. While direct electrochemical oxidation of (bi)carbonate represents a straightforward route for carbonate management, knowledge of the feasibility and mechanisms of direct oxidation is presently lacking. Herein, we report the isolation and characterization of the bis(triphenylphosphine)iminium salts of bicarbonate and peroxybicarbonate, thus enabling the examination of their oxidation chemistry. Infrared spectroelectrochemistry combined with time-resolved infrared spectroscopy reveals that the photoinduced oxidation of HCO 3 – by an Ir(III) photoreagent results in the generation of the short-lived bicarbonate radical in less than 50 ns. The highly acidic bicarbonate radical undergoes proton transfer with HCO 3 – to furnish the carbonate radical anion and H 2 CO 3 , leading to the eventual release of CO 2 and H 2 O, thus accounting for the appearance of H 2 O and CO 2 in both electrochemical and photochemical oxidation experiments. Here, the back reaction of the carbonate radical subsequently oxidizes the Ir(II) photoreagent, leading to carbonate. In the absence of this back reaction, dimerization of the carbonate radical provides entry into peroxybicarbonate, which we show undergoes facile oxidation to O 2 and CO 2 . Together, the results reported identify tangible pathways for the design of catalysts for the management of carbonate in energy storage applications.

25 ENERGY STORAGE↗

Coupling plant litter quantity to a novel metric for litter quality explains C storage changes in a thawing permafrost peatland

Abstract Permafrost thaw is a major potential feedback source to climate change as it can drive the increased release of greenhouse gases carbon dioxide (CO 2 ) and methane (CH 4 ). This carbon release from the decomposition of thawing soil organic material can be mitigated by increased net primary productivity (NPP) caused by warming, increasing atmospheric CO 2 , and plant community transition. However, the net effect on C storage also depends on how these plant community changes alter plant litter quantity, quality, and decomposition rates. Predicting decomposition rates based on litter quality remains challenging, but a promising new way forward is to incorporate measures of the energetic favorability to soil microbes of plant biomass decomposition. We asked how the variation in one such measure, the nominal oxidation state of carbon (NOSC), interacts with changing quantities of plant material inputs to influence the net C balance of a thawing permafrost peatland. We found: (1) Plant productivity (NPP) increased post‐thaw, but instead of contributing to increased standing biomass, it increased plant biomass turnover via increased litter inputs to soil; (2) Plant litter thermodynamic favorability (NOSC) and decomposition rate both increased post‐thaw, despite limited changes in bulk C:N ratios; (3) these increases caused the higher NPP to cycle more rapidly through both plants and soil, contributing to higher CO 2 and CH 4 fluxes from decomposition. Thus, the increased C‐storage expected from higher productivity was limited and the high global warming potential of CH 4 contributed a net positive warming effect. Although post‐thaw peatlands are currently C sinks due to high NPP offsetting high CO 2 release, this status is very sensitive to the plant community's litter input rate and quality. Integration of novel bioavailability metrics based on litter chemistry, including NOSC, into studies of ecosystem dynamics, is needed to improve the understanding of controls on arctic C stocks under continued ecosystem transition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Corrosive Influence of Carbon Dioxide on Crack Initiation in Quartz: Comparison With Liquid Water and Vacuum Environments

The stimulation of crack growth in quartz and siliceous materials by injecting carbon dioxide (CO 2 ) represents a key technology in long-term carbon storage and in the development of natural gas wells. While this technology is widely used, the molecular impact of CO 2 interactions on the solid matrix is only incompletely understood. In this work, we employ reactive molecular dynamics simulations to study how the CO 2 fluid environment affects the mechanical properties of pre-cracked single-crystal quartz. The thermodynamic conditions of interest are those relevant to subsurface reservoirs. We report how structural properties of quartz—bond length distribution and crack tip shape—evolve upon introduction of a fluid. These properties are directly related to macroscopic quantities of the global stress-strain curves, thus reaffirming the inherent coupling across multiple scales for fluid-solid interactions in the subsurface. Here, we find that CO 2 reduces the fracture toughness of quartz by 12.1% compared to that of quartz in vacuum, thereby promoting crack growth and enhancing fluid transport in the subsurface.

58 GEOSCIENCES↗

Techno-economic performances and life cycle greenhouse gas emissions of various ammonia production pathways including conventional, carbon-capturing, nuclear-powered, and renewable production

Ammonia (NH 3 ) is conventionally produced using fossil natural gas (NG) for hydrogen production through steam reformation and synthesis in the Haber–Bosch (HB) process. The global conventional ammonia production contributes more than 420 million tons of CO 2 emissions annually. Here, in this work, we investigated the techno-economics and well-to-plant-gate (WTG) greenhouse gas (GHG) emissions of conventional NG-based, carbon-capturing, nuclear-powered, and renewable ammonia production by developing an engineering process model for each. Carbon-capturing ammonia production refers to the NG-based ammonia production while capturing CO 2 and transporting it via pipelines for storage or utilization. Nuclear-powered and renewable ammonia production represents an alternative ammonia production through water electrolysis, air separation, and the HB process using carbon-free energy sources. Nuclear and renewable energy sources are assumed to be used for nuclear-powered and renewable ammonia production, respectively. Sensitivity analyses are performed for CO 2 pipeline transport distances, potential carbon capture tax credits, and clean H 2 production cost. Carbon-capturing ammonia production reduces WTG GHG emissions by 55–70% compared to conventional NG-based ammonia production methods. Nuclear-powered and renewable ammonia production almost eliminate GHG emissions since energy supply is either zero carbon or near-zero carbon. However, when $4.16–4.83 per kg is the cost assumed for clean H 2 production using state-of-the-art electrolysis technologies, the levelized costs of nuclear-powered and renewable ammonia are calculated to be $0.92–1.06 per kg NH 3 , which are approximately four times higher than the conventional NG-based ammonia production cost. The cost of CO 2 emission avoidance is estimated in the range of $266–318 per metric ton of CO 2 for nuclear-powered and renewable ammonia production. The clean H 2 production cost is the major contributor to the levelized costs of nuclear-powered and renewable ammonia production. A lower production cost, near $1 per kg H 2 , for clean H 2 is required for nuclear-powered and renewable ammonia production to be cost-competitive with conventional NG-based ammonia production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A deep learning-accelerated data assimilation and forecasting workflow for commercial-scale geologic carbon storage

Fast assimilation of monitoring data to update forecasts of pressure buildup and carbon dioxide (CO 2 ) plume migration under geologic uncertainties is a challenging problem in geologic carbon storage. The high computational cost of data assimilation with a high-dimensional parameter space impedes fast decision-making for commercial-scale reservoir management. We propose to leverage physical understandings of porous medium flow behavior with deep learning techniques to develop a fast data assimilation-reservoir response forecasting workflow. Applying an Ensemble Smoother Multiple Data Assimilation (ES-MDA) framework, the workflow updates geologic properties and predicts reservoir performance with quantified uncertainty from pressure history and CO 2 plumes interpreted through seismic inversion. As the most computationally expensive component in such a workflow is reservoir simulation, we developed surrogate models to predict dynamic pressure and CO 2 plume extents under multi-well injection. The surrogate models employ deep convolutional neural networks, specifically, a wide residual network and a residual U-Net. The workflow is validated against a flat threedimensional reservoir model representative of a clastic shelf depositional environment. Intelligent treatments are applied to bridge between quantities in a true-3D reservoir model and those in a single-layer reservoir model. The workflow can complete history matching and reservoir forecasting with uncertainty quantification in less than one hour on a mainstream personal workstation.

25 ENERGY STORAGE↗

Total cost of carbon capture and storage implemented at a regional scale: northeastern and midwestern United States

We model the costs of carbon capture and storage (CCS) in subsurface geological formations for emissions from 138 northeastern and midwestern electricity-generating power plants. The analysis suggests coal-sourced CO 2 emissions can be stored in this region at a cost of $52–$60 ton -1 , whereas the cost to store emission from natural-gas-fired plants ranges from approximately $80 to $90. Storing emissions offshore increases the lowest total costs of CCS to over $60 per ton of CO 2 for coal. Because there apparently is sufficient onshore storage in the northeastern and midwestern United States, offshore storage is not necessary or economical unless there are additional costs or suitability issues associated with the onshore reservoirs. For example, if formation pressures are prohibitive in a large-scale deployment of onshore CCS, or if there is opposition to onshore storage, offshore storage space could probably store emissions at an additional cost of less than $10 ton -1 . Finally, it is likely that more than 8 Gt of total CO 2 emissions from this region can be stored for less $60 ton -1 , slightly more than the $50 ton -1 Section 45Q tax credits incentivizing CCS.

Life Sciences & Biomedicine - Other Topics↗

Unraveling the Intermediate Species of Co 3 O 4 Hollow Spheres for CO 2 Photoreduction by In Situ X-ray Absorption Spectroscopy

Nanostructured hollow materials have emerged as a promising class of materials for energy conversion and storage. Herein, we report a Co 3 O 4 hollow sphere nanostructure that can serve as a CO 2 reduction catalyst to form CO with high selectivity upon visible-light illumination in the presence of a [Ru(bpy) 3 ] 2+ molecular photosensitizer. Using in situ X-ray absorption spectroscopy, we not only showed that the Co center in the Co 3 O 4 hollow sphere is the active site for CO 2 reduction but also identified a key intermediate species, that is, a reduced Co center, due to electron transfer from the [Ru(bpy) 3 ] 2+ photosensitizer when the system can steadily generate CO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fiber optic system for direct detection of CO2 leakage in carbon storage wells

The feasibility study focused on the development of new fiber for distributed chemical sensing (DCS) that will allow direct detection of CO 2 leakages in the environment. This is particularly important for monitoring well integrity for carbon capture and storage (CSS), to provide early warning for an incoming well failure and potential CO 2 leaking through it. We proposed Raman or IR interrogation within gas-filled Holey Fibers (HoFs) interleaved with standard solid core fibers and Fiber Bragg Grating (FBG) sections, so that the location and concentration of the gases would be provided simultaneously by means of reflectometry. The methodology would overcome current roadblocks to using fiber optics for CO 2 (and other gases) detection in wells with direct in-situ measurements of concentration along with other important parameters such as temperature and pressure as the baseline of environment background.

25 ENERGY STORAGE↗

CO 2 Mineralization Using Porous Carbon and Industrial Wastes to Make Multifunctional Concrete

Along with substantial benefits and promises of carbon capture and storage (CCS) technologies, significant challenges exist in developing scalable materials and methods for capture and of CO 2 . The overarching objective of this project is to provide a system approach for developing a new CO 2 capture and utilization technology using porous carbon and industrial wastes to make a low-cost, scalable and multifunctional concrete product. The objective of Phase I of this project is to develop and fine-tune activated carbons from different wastes such as plastic wastes to offer a cheap, abundant and scalable feedstock for CO 2 uptake. The objective of Phase 2 is creating a facile protocol to develop a concrete prototype comprising CO 2 adsorbed activated carbon (e.g. from plastic wastes), followed by product validation, life-cycle analysis, and bench-scale testing. The project objectives are designed to specifically obtain a final product and technology that directly addresses the main goals of the DOE’s CCS programs.

01 COAL, LIGNITE, AND PEAT↗

Formation and Detriments of Residual Alkaline Compounds on High-Nickel Layered Oxide Cathodes

High-nickel layered oxides LiNi x M 1-x O 2 (x ≥ 0.9) have emerged as promising cathode materials for automotive batteries due to their high energy density and lower cost. However, the formation and accumulation of surface alkaline compounds during storage hinder their mass production and commercialization. Here, in this study, a validated chemical method is employed to deconvolute and quantify the evolution of each residual lithium compound in four representative cathodes during ambient-air storage, viz., LiNiO 2 (LNO), LiNi 0.95 Co 0.05 O 2 (NC), LiNi 0.95 Mn 0.05 O 2 (NM), and LiNi 0.95 Al 0.05 O 2 (NA). Furthermore, the activation energy of the reaction between water and the cathode is determined by measuring the leached LiOH concentration at various temperatures. While residual lithium and time-of-flight secondary-ion mass spectrometry measurements collectively reveal that the air stability overall follows the trend of NM > NA ≈ NC > LNO, the aged NM exhibits the highest charge-transfer resistance and the worst electrochemical performance among the cathodes. In situ, X-ray diffraction and scanning transmission electron microscopy unveil that the aged NM is plagued by a large area of resistive spinel-like M 3–x Li x O 4 phases, leading to aggravated particle reaction heterogeneity. Finally, a one-step recalcination method is demonstrated effective in fully restoring the degraded cathodes. This work provides insights into overcoming air sensitivity issues of high-Ni cathodes.

(S)TEM↗