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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Single-Phase Spinel NiCo 2 O 4 as Highly Active and Stable Electrocatalysts for Urea Oxidation Reaction in Urea Electrolysis

Exploring and designing a stable and active catalyst for the urea electro-oxidation reaction (UOR, CO(NH 2 ) 2 + 6OH – → CO 2 + N 2 + 5H 2 O + 6e – ) is crucial for the long-term sustainability of ecological systems and clean energy production. We found that spinel NiCo 2 O 4 is a stable and active electrocatalyst for UOR at a relatively low anodic potential without triggering the competing oxygen evolution reaction (OER). A urea electrolysis cell (CO(NH 2 )2 + H 2 O → CO 2 + N 2 + 2H 2 ) utilizing a spinel NiCo 2 O 4 anode and a commercial Pt cathode was further characterized through galvanostatic polarization tests, demonstrating excellent structural stability at various current densities. Post-mortem analysis of long-term urea electrolysis measurements suggested that NiCo 2 O 4 electrocatalysts maintained a stable spinel structure. However, redistribution of Ni 3+ to Ni 2+ valence on the catalyst surface was observed, in contrast to the intact Co valence, indicating that (i) Ni sites are active toward urea adsorption and sequential electro-oxidation; (ii) while urea oxidation proceeds primarily through the direct electro-oxidation mechanism, chemical reactions between the Ni 3+ site and urea occur during long-term electrochemical UOR operation. Density functional theory (DFT) simulations were used to calculate the adsorption energies of urea molecules on NiO, Co 3 O 4 , and NiCo 2 O 4 , revealing the importance of regulating the configuration of adsorbed urea molecules on the NiCo 2 O 4 surface.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Genetic and Functional Diversity Help Explain Pathogenic, Weakly Pathogenic, and Commensal Lifestyles in the Genus Xanthomonas

The genus Xanthomonas has been primarily studied for pathogenic interactions with plants. However, besides host and tissue-specific pathogenic strains, this genus also comprises nonpathogenic strains isolated from a broad range of hosts, sometimes in association with pathogenic strains, and other environments, including rainwater. Based on their incapacity or limited capacity to cause symptoms on the host of isolation, nonpathogenic xanthomonads can be further characterized as commensal and weakly pathogenic. This study aimed to understand the diversity and evolution of nonpathogenic xanthomonads compared to their pathogenic counterparts based on their cooccurrence and phylogenetic relationship and to identify genomic traits that form the basis of a life history framework that groups xanthomonads by ecological strategies. We sequenced genomes of 83 strains spanning the genus phylogeny and identified eight novel species, indicating unexplored diversity. While some nonpathogenic species have experienced a recent loss of a type III secretion system, specifically the hrp2 cluster, we observed an apparent lack of association of the hrp2 cluster with lifestyles of diverse species. We performed association analysis on a large data set of 337 Xanthomonas strains to explain how xanthomonads may have established association with the plants across the continuum of lifestyles from commensals to weak pathogens to pathogens. Presence of distinct transcriptional regulators, distinct nutrient utilization and assimilation genes, transcriptional regulators, and chemotaxis genes may explain lifestyle-specific adaptations of xanthomonads.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

A Novel Freshwater to Marine Evolutionary Transition Revealed within Methylophilaceae Bacteria from the Arctic Ocean

Bacteria inhabiting polar oceans, particularly the Arctic Ocean, are less studied than those at lower latitudes. Discovering bacterial adaptations to Arctic Ocean conditions is essential for understanding responses to the accelerated environmental changes occurring in the North. The Methylophilaceae are emerging as a model for investigating the genomic basis of habitat adaptation, because related lineages are widely distributed across both freshwater and marine ecosystems. Here, we investigated Methylophilaceae diversity in the salinity-stratified surface waters of the Canada Basin, Arctic Ocean. In addition to a diversity of marine OM43 lineages, we report on the genomic characteristics and evolution of a previously undescribed Methylophilaceae clade (BS01) common to polar surface waters yet related to freshwater sediment Methylotenera species. BS01 is restricted to the lower-salinity surface waters, while OM43 is found throughout the halocline. An acidic proteome supports a marine lifestyle for BS01, but gene content shows increased metabolic versatility compared to OM43 and evidence for ongoing genome-streamlining. Phylogenetic reconstruction shows that BS01 colonized the pelagic ocean independently of OM43 via convergent evolution. Salinity adaptation and differences in one-carbon and nitrogen metabolism may play a role in niche differentiation between BS01 and OM43. In particular, urea utilization by BS01 is predicted to provide an ecological advantage over OM43 given the limited amount of inorganic nitrogen in the Canada Basin. These observations provide further evidence that the Arctic Ocean is inhabited by distinct bacterial groups and that at least one group (BS01) evolved via a freshwater to marine environmental transition.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Cross-Feeding of a Toxic Metabolite in a Synthetic Lignocellulose-Degrading Microbial Community

The recalcitrance of complex organic polymers such as lignocellulose is one of the major obstacles to sustainable energy production from plant biomass, and the generation of toxic intermediates can negatively impact the efficiency of microbial lignocellulose degradation. Here, we describe the development of a model microbial consortium for studying lignocellulose degradation, with the specific goal of mitigating the production of the toxin formaldehyde during the breakdown of methoxylated aromatic compounds. Included are Pseudomonas putida, a lignin degrader; Cellulomonas fimi, a cellulose degrader; and sometimes Yarrowia lipolytica, an oleaginous yeast. Unique to our system is the inclusion of Methylorubrum extorquens, a methylotroph capable of using formaldehyde for growth. We developed a defined minimal “Model Lignocellulose” growth medium for reproducible coculture experiments. We demonstrated that the formaldehyde produced by P. putida growing on vanillic acid can exceed the minimum inhibitory concentration for C. fimi, and, furthermore, that the presence of M. extorquens lowers those concentrations. We also uncovered unexpected ecological dynamics, including resource competition, and interspecies differences in growth requirements and toxin sensitivities. Finally, we introduced the possibility for a mutualistic interaction between C. fimi and M. extorquens through metabolite exchange. This study lays the foundation to enable future work incorporating metabolomic analysis and modeling, genetic engineering, and laboratory evolution, on a model system that is appropriate both for fundamental eco-evolutionary studies and for the optimization of efficiency and yield in microbially-mediated biomass transformation.

Methylorubrum extorquens↗
DOE OSTI2023

Microdiverse bacterial clades prevail across Antarctic wetlands

Antarctica's extreme environmental conditions impose selection pressures on microbial communities. Indeed, a previous study revealed that bacterial assemblages at the Cierva Point Wetland Complex (CPWC) are shaped by strong homogeneous selection. Yet which bacterial phylogenetic clades are shaped by selection processes and their ecological strategies to thrive in such extreme conditions remain unknown. Here, we applied the phyloscore and feature-level βNTI indexes coupled with phylofactorization to successfully detect bacterial monophyletic clades subjected to homogeneous (HoS) and heterogenous (HeS) selection. Remarkably, only the HoS clades showed high relative abundance across all samples and signs of putative microdiversity. The majority of the amplicon sequence variants (ASVs) within each HoS clade clustered into a unique 97% sequence similarity operational taxonomic unit (OTU) and inhabited a specific environment (lotic, lentic or terrestrial). Our findings suggest the existence of microdiversification leading to sub-taxa niche differentiation, with putative distinct ecotypes (consisting of groups of ASVs) adapted to a specific environment. We hypothesize that HoS clades thriving in the CPWC have phylogenetically conserved traits that accelerate their rate of evolution, enabling them to adapt to strong spatio-temporally variable selection pressures. Variable selection appears to operate within clades to cause very rapid microdiversification without losing key traits that lead to high abundance. Variable and homogeneous selection, therefore, operate simultaneously but on different aspects of organismal ecology. The result is an overall signal of homogeneous selection due to rapid within-clade microdiversification caused by variable selection. It is unknown whether other systems experience this dynamic, and we encourage future work evaluating the transferability of our results.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Physiological Responses of C4 Perennial Bioenergy Grasses to Climate Change: Causes, Consequences, and Constraints

C 4 perennial bioenergy grasses are an economically and ecologically important group whose responses to climate change will be important to the future bioeconomy. These grasses are highly productive and frequently possess large geographic ranges and broad environmental tolerances, which may contribute to the evolution of ecotypes that differ in physiological acclimation capacity and the evolution of distinct functional strategies. C 4 perennial bioenergy grasses are predicted to thrive under climate change—C 4 photosynthesis likely evolved to enhance photosynthetic efficiency under stressful conditions of low [CO 2 ], high temperature, and drought—although few studies have examined how these species will respond to combined stresses or to extremes of temperature and precipitation. Important targets for C 4 perennial bioenergy production in a changing world, such as sustainability and resilience, can benefit from combining knowledge of C 4 physiology with recent advances in crop improvement, especially genomic selection.

Plant Sciences↗
DOE OSTI2020

Rapid adaptation (or not) in restored plant populations

Abstract Mismatches between the traits of a colonizing population and a novel habitat can generate strong selection, potentially resulting in rapid adaptation. However, for most colonization events, it can be difficult to detect rapid adaptation or distinguish it from nonadaptive evolutionary changes. Here, I take advantage of a replicated prairie restoration experiment to compare recently established plant populations in two closely located restored prairies to each other and to their shared source population to test for rapid adaptation. Using a reciprocal transplant experiment six years after the populations were established, I found that one restored plant population showed evidence of adaptation, outperforming the other restored population when grown at its home site. In contrast, I detected no evidence for adaptation at the other site. These findings demonstrate that while rapid adaptation can occur in colonizing plant populations, it may not be the rule. Better understanding of when adaptation may or may not occur in these contexts may help us use evolution to our advantage, potentially improving establishment of desirable species in restored habitats.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Synergistic effects of climate warming and atmospheric nutrient deposition on the alpine lake ecosystem in the south-eastern Tibetan Plateau during the Anthropocene

Alpine lakes on the Tibetan Plateau are highly sensitive to global change and have been recognized as the sentinel of climate warming. However, anthropogenic impacts in populated area are migrating to these remote areas via transporting particulate nutrients by atmospheric deposition. Whether warming and nutrient deposition would impose additive or synergistic effects on the lake ecosystem remains largely unknown. Here, we present multi-proxy (sediment pigment and geochemistry) records during the past two centuries at the Cuoqia Lake in the southeast Tibetan Plateau. We found that the lake exhibited rapid ecological changes since 1980 AD characterized by an increase in primary productivity due to algal proliferation, with more rapid growth of green algae and diatoms. These findings are in concert with many other lakes (e.g., Moon Lake and Shade Co) in the same area, suggesting a consistent pattern of ecosystem evolution at the region scale. Statistical analyses suggested that nutrient deposition and climate warming were strongly associated with the variations in primary productivity and algae composition, exerting both individual and interactive effects. In addition, scenario analyses with a well-established process-based ecosystem model further revealed that the two factors not only individually, but also synergistically promoted the algal proliferation and community succession. Such synergy is evident in that the effect of lake warming would be more pronounced under higher nutrient deposition scenario, which is potentially due to higher temperature-driven mineralization in warmer conditions, and higher efficiency of nutrient utilization under enhanced light availability attributing to declining ice thickness and duration in cold seasons. Overall, our study proposes the existence and quantifies the synergistic impacts of climate warming and anthropogenic activities in driving the ecological changes in remote alpine lakes on the Tibetan Plateau. The lake ecological consequences driven by individual factor would be worsen by such synergy, so that we cannot predict the lake ecosystem trajectory in the future based on each factor separately, and more efforts than previously expected would be needed for the lake restoration and management.

Zhang, Can↗
DOE OSTI2020

Modeling Functional Organic Chemistry in Arctic Rivers: An Idealized Siberian System

Rivers of the Arctic will become ever more important for the global climate, since they carry a majority of continental dissolved organic carbon flux into the rapidly changing polar ocean. Aqueous organics comprise a wide array of functional groups, several of which are likely to impact coastal and open water biophysical properties. Light attenuation, interfacial films, aerosol formation, gas release and momentum exchange can all be cited. We performed Lagrangian kinetic modeling for the evolution of riverine organic chemistry as the molecules in question make their way from the highlands to Arctic outlets. Classes as diverse as the proteins, sugars, lipids, re-condensates, humics, bio-tracers and small volatiles are all included. Our reduced framework constitutes an idealized northward flow driving a major hydrological discharge rate and primarily representing the Russian Lena. Mountainous, high solute and tundra sources are all simulated, and they meet up at several points between soil and delta process reactors. Turnover rates are parameterized beginning with extrapolated coastal values imposed along a limited tributary network, with connections between different terrestrial sub-ecologies. Temporal variation of our total dissolved matter most closely resembles the observations when we focus on the restricted removal and low initial carbon loads, suggesting relatively slow transformation along the water course. Thus, channel combinations and mixing must play a dominant role. Nevertheless, microbial and photochemical losses help determine the final concentrations for most species. Chemical evolution is distinct for the various functionalities, with special contributions from pre- and post-reactivity in soil and delta waters. Several functions are combined linearly to represent the collective chromophoric dissolved matter, characterized here by its absorption. Tributaries carry the signature of lignin phenols to segregate tundra versus taiga sources, and special attention is paid to the early then marine behaviors of low molecular weight volatiles. Heteropolycondensates comprise the largest percentage of reactive carbon in our simulations due to recombination/accumulation, and they tend to be preeminent at the mouth. Outlet concentrations of individual structures such as amino acids and absorbers lie above threshold values for biophysical influence, on the monolayer and light attenuation. The extent of coastal spreading is examined through targeted regional box modeling, relying on salinity and color for calibration. In some cases, plumes reach the scale of peripheral arctic seas, and amplification is expected during upcoming decades. Conclusions are mapped from the Lena to other boreal discharges, and future research questions are outlined regarding the bonding type versus mass release as permafrost degrades. Dynamic aqueous organic coupling is recommended for polar system models, from headwaters to coastal diluent.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Progress and prospects of thermo-mechanical energy storage – A critical review

The share of electricity generated by intermittent renewable energy sources is increasing (now at 26% of global electricity generation) and the requirements of affordable, reliable and secure energy supply designate grid-scale storage as an imperative component of most energy transition pathways. The most widely deployed bulk energy storage solution is pumped-hydro energy storage (PHES), however, this technology is geographically constrained. Alternatively, flow batteries are location independent and have higher energy densities than PHES, but remain associated with high costs and low lifetimes, which highlights the importance of developing and utilizing additional larger-scale, longer-duration and long-lifetime energy storage alternatives. Here, we review a class of promising bulk energy storage technologies based on thermo-mechanical principles, which includes: compressed-air energy storage (CAES), liquid-air energy storage (LAES) and pumped-thermal electricity storage (PTES). The thermodynamic principles upon which these thermo-mechanical energy storage (TMES) technologies are based are discussed and a synopsis of recent progress in their development is presented, assessing their ability to provide reliable and cost-effective solutions. The current performance and future prospects of TMES systems are examined within a unified framework and a thermoeconomic analysis is conducted to explore their competitiveness relative to each other as well as when compared to PHES and flow battery systems. This includes carefully selected thermodynamic and economic methodologies for estimating the component costs of each configuration in order to provide a detailed and fair comparison at various system sizes. The analysis reveals that the technical and economic characteristics of TMES systems are such that, especially at higher discharge power ratings and longer discharge durations, they can offer promising performance (round-trip efficiencies higher than 60%) along with high lifetimes (> 30 years), low specific costs (often below 100 $/kWh), low ecological footprints and unique sector-coupling features compared to other storage options. TMES systems have significant potential for further progress and the thermoeconomic comparisons in this paper can be used as a benchmark for their future evolution.

25 ENERGY STORAGE↗
DOE OSTI2022

Manganese Limitation of Phytoplankton Physiology and Productivity in the Southern Ocean

Although iron and light are understood to regulate the Southern Ocean biological carbon pump, observations have also indicated a possible role for manganese. Low concentrations in Southern Ocean surface waters suggest manganese limitation is possible, but its spatial extent remains poorly constrained and direct manganese limitation of the marine carbon cycle has been neglected by ocean models. Here, using available observations, we develop a new global biogeochemical model and find that phytoplankton in over half of the Southern Ocean cannot attain maximal growth rates because of manganese deficiency. Manganese limitation is most extensive in austral spring and depends on phytoplankton traits related to the size of photosynthetic antennae and the inhibition of manganese uptake by high zinc concentrations in Antarctic waters. Importantly, manganese limitation expands under the increased iron supply of past glacial periods, reducing the response of the biological carbon pump. Overall, these model experiments describe a mosaic of controls on Southern Ocean productivity that emerge from the interplay of light, iron, manganese and zinc, shaping the evolution of Antarctic phytoplankton since the opening of the Drake Passage.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Heterogeneous oxidation of amorphous organic aerosol surrogates by O 3 , NO 3 , and OH at typical tropospheric temperatures

Typical tropospheric temperatures render possible phase states of amorphous organic aerosol (OA) particles of solid, semisolid, and liquid. This will affect the multiphase oxidation kinetics involving the organic condensed-phase and gaseous oxidants and radicals. To quantify this effect, we determined the reactive uptake coefficients (γ) of O 3 , NO 3 , and OH by substrate films composed of single and binary OA surrogate species under dry conditions for temperatures from 213 to 313 K. A temperature-controlled coated-wall flow reactor coupled to a chemical ionization mass spectrometer was applied to determine γ with consideration of gas diffusion transport limitation and gas flow entrance effects, which can impact heterogeneous reaction kinetics. The phase state of the organic substrates was probed via the poke-flow technique, allowing the estimation of the substrates' glass transition temperatures. γ values for O 3 and OH uptake to a canola oil substrate, NO 3 uptake to a levoglucosan and a levoglucosan / xylitol substrate, and OH uptake to a glucose and glucose / 1,2,6-hexanetriol substrate have been determined as a function of temperature. We observed the greatest changes in γ with temperature for substrates that experienced the largest changes in viscosity as a result of a solid-to-liquid phase transition. Organic substrates that maintain a semisolid or solid phase state and as such a relatively higher viscosity do not display large variations in heterogeneous reactivity. From 213 to 293 K, γ values of O 3 with canola oil, of NO 3 with a levoglucosan / xylitol mixture, and of OH with a glucose / 1,2,6-hexanetriol mixture and canola oil, increase by about a factor of 34, 3, 2, and 5, respectively, due to a solid-to-liquid phase transition of the substrate. These results demonstrate that the surface and bulk lifetime of the OA surrogate species can significantly increase due to the slowed heterogeneous kinetics when OA species are solid or highly viscous in the middle and upper troposphere. This experimental study will further our understanding of the chemical evolution of OA particles with subsequent important consequences for source apportionment, air quality, and climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Giant Starship Elements Mobilize Accessory Genes in Fungal Genomes

Accessory genes are variably present among members of a species and are a reservoir of adaptive functions. In bacteria, differences in gene distributions among individuals largely result from mobile elements that acquire and disperse accessory genes as cargo. In contrast, the impact of cargo-carrying elements on eukaryotic evolution remains largely unknown. Here, we show that variation in genome content within multiple fungal species is facilitated by Starships, a newly discovered group of massive mobile elements that are 110 kb long on average, share conserved components, and carry diverse arrays of accessory genes. We identified hundreds of Starship-like regions across every major class of filamentous Ascomycetes, including 28 distinct Starships that range from 27 to 393 kb and last shared a common ancestor ca. 400 Ma. Using new long-read assemblies of the plant pathogen Macrophomina phaseolina, we characterize four additional Starships whose activities contribute to standing variation in genome structure and content. One of these elements, Voyager, inserts into 5S rDNA and contains a candidate virulence factor whose increasing copy number has contrasting associations with pathogenic and saprophytic growth, suggesting Voyager’s activity underlies an ecological trade-off. We propose that Starships are eukaryotic analogs of bacterial integrative and conjugative elements based on parallels between their conserved components and may therefore represent the first dedicated agents of active gene transfer in eukaryotes. Our results suggest that Starships have shaped the content and structure of fungal genomes for millions of years and reveal a new concerted route for evolution throughout an entire eukaryotic phylum.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Giant Virus Infection Signatures Are Modulated by Euphotic Zone Depth Strata and Iron Regimes of the Subantarctic Southern Ocean

Viruses can alter the abundance, evolution, and metabolism of microorganisms in the ocean, playing a key role in water column biogeochemistry and global carbon cycles. Large efforts to measure the contribution of eukaryotic microorganisms (e.g., protists) to the marine food web have been made, yet the in situ activities of the ecologically relevant viruses that infect these organisms are not well characterized. Viruses within the phylum Nucleocytoviricota (“giant viruses”) are known to infect a diverse range of ecologically relevant marine protists, yet how these viruses are influenced by environmental conditions remains under-characterized. By employing metatranscriptomic analyses of in situ microbial communities along a temporal and depthresolved gradient, we describe the diversity of giant viruses at the Southern Ocean Time Series (SOTS), a site within the subpolar Southern Ocean. Using a phylogeny-guided taxonomic assessment of detected giant virus genomes and metagenome-assembled genomes, we observed depth-dependent structuring of divergent giant virus families mirroring dynamic physicochemical gradients in the stratified euphotic zone. Analyses of transcribed metabolic genes from giant viruses suggest viral metabolic reprogramming of hosts from the surface to a 200-m depth. Lastly, using on-deck incubations reflecting a gradient of iron availability, we show that modulating iron regimes influences the activity of giant viruses in the field. Specifically, we show enhanced infection signatures of giant viruses under both iron-replete and iron-limited conditions. Collectively, these results expand our understanding of how the water column’s vertical biogeography and chemical surroundings affect an important group of viruses within the Southern Ocean

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Comparative genomics reveals a dynamic genome evolution in the ectomycorrhizal milk-cap ( Lactarius ) mushrooms

Ectomycorrhizal fungi play a key role in forests by establishing mutualistic symbioses with woody plants. Genome analyses have identified conserved symbiosis-related traits among ectomycorrhizal fungal species, but the molecular mechanisms underlying host specificity remain poorly known. We sequenced and compared the genomes of seven species of milk-cap fungi (Lactarius, Russulales) with contrasting host specificity. We also compared these genomes with those of symbiotic and saprotrophic Russulales species, aiming to identify genes involved in their ecology and host specificity. The size of Lactarius genomes is significantly larger than other Russulales species, owing to a massive accumulation of transposable elements and duplication of dispensable genes. As expected, their repertoire of genes coding for plant cell wall-degrading enzymes is restricted, but they retained a substantial set of genes involved in microbial cell wall degradation. Notably, Lactarius species showed a striking expansion of genes encoding proteases, such as secreted ectomycorrhiza-induced sedolisins. A high copy number of genes coding for small secreted LysM proteins and Lactarius-specific lectins were detected, which may be linked to host specificity. This study revealed a large diversity in the genome landscapes and gene repertoires within Russulaceae. The known host specificity of Lactarius symbionts may be related to mycorrhiza-induced species-specific genes, including secreted sedolisins.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

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↗