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At least 181 records · Page 10

Resolving the Chemical Formula of Nesquehonite via NMR Crystallography, DFT Computation, and Complementary Neutron Diffraction

Nesquehonite is a magnesium carbonate mineral relevant to carbon sequestration envisioned for carbon capture and storage of CO 2 . Its chemical formula remains controversial today, assigned as either a hydrated magnesium carbonate [MgCO 3 · 3H 2 O], or a hydroxy- hydrated- magnesium bicarbonate [Mg(HCO 3 )OH · 2H 2 O]. Here, the resolution of this controversy is central to understanding this material‘s thermodynamic, phase, and chemical behavior. In an NMR crystallography study, using rotational-echo double-resonance 13 C{ 1 H} (REDOR), 13 C- 1 H distances are determined with precision, and the combination of 13 C static NMR lineshapes and density functional theory (DFT) calculations are used to model different H atomic coordinates. [MgCO 3 · 3H 2 O] is found to be accurate, and evidence from neutron powder diffraction bolsters these assignments. Refined H positions can help understand how H-bonding stabilizes this structure against dehydration to MgCO 3 . More broadly, these results illustrate the power of NMR crystallography as a technique for resolving questions where X-ray diffraction is inconclusive.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nanoconfinement matters in humidified CO 2 interaction with metal silicates

With enigmatic observations of enhanced reactivity of wet CO 2 -rich fluids with metal silicates, the mechanistic understanding of molecular processes governing carbonation proves critical in designing secure geological carbon sequestration and economical carbonated concrete technologies. Here, we use the first principle and classical molecular simulations to probe the impact of nanoconfinement on physicochemical processes at the rock–water–CO 2 interface. We choose nanoporous calcium–silicate–hydrate (C–S–H) and forsterite (Mg 2 SiO 4 ) as model metal silicate surfaces that are of significance in cement chemistry and geochemistry communities, respectively. We show that while a nanometer-thick interfacial water film persists at unsaturated conditions consistent with in situ infrared spectroscopy, the phase behavior of the water–CO 2 mixture changes from its bulk counterpart depending on the surface chemistry and nanoconfinement. We also observe enhanced solubility at the interface of water and CO 2 phases, which could amplify the CO 2 speciation rate. Additionally, through free energy calculations, we show that CO 2 could be found in a metastable state near the C–S–H surface, which can potentially react with surface water and hydroxyl groups to form carbonic acid and bicarbonate. These findings support the explicit consideration of nanoconfinement effects in reactive and non-reactive pore-scale processes.

54 ENVIRONMENTAL SCIENCES↗

Engineering custom morpho- and chemotypes of Populus for sustainable production of biofuels, bioproducts, and biomaterials

Humans have been modifying plant traits for thousands of years, first through selection (i.e., domestication) then modern breeding, and in the last 30 years, through biotechnology. These modifications have resulted in increased yield, more efficient agronomic practices, and enhanced quality traits. Precision knowledge of gene regulation and function through high-resolution single-cell omics technologies, coupled with the ability to engineer plant genomes at the DNA sequence, chromatin accessibility, and gene expression levels, can enable engineering of complex and complementary traits at the biosystem level. Populus spp., the primary genetic model system for woody perennials, are among the fastest growing trees in temperate zones and are important for both carbon sequestration and global carbon cycling. Ample genomic and transcriptomic resources for poplar are available including emerging single-cell omics datasets. To expand use of poplar outside of valorization of woody biomass, chassis with novel morphotypes in which stem branching and tree height are modified can be fabricated thereby leading to trees with altered leaf to wood ratios. These morphotypes can then be engineered into customized chemotypes that produce high value biofuels, bioproducts, and biomaterials not only in specific organs but also in a cell-type-specific manner. For example, the recent discovery of triterpene production in poplar leaf trichomes can be exploited using cell-type specific regulatory sequences to synthesize high value terpenes such as the jet fuel precursor bisabolene specifically in the trichomes. By spatially and temporally controlling expression, not only can pools of abundant precursors be exploited but engineered molecules can be sequestered in discrete cell structures in the leaf. The structural diversity of the hemicellulose xylan is a barrier to fully utilizing lignocellulose in biomaterial production and by leveraging cell-type-specific omics data, cell wall composition can be modified in a tailored and targeted specific manner to generate poplar wood with novel chemical features that are amenable for processing or advanced manufacturing. Precision engineering poplar as a multi-purpose sustainable feedstock highlights how genome engineering can be used to re-imagine a crop species.

09 BIOMASS FUELS↗

Using Pyrolysis and its Bioproducts to Help Close the Loop in Sustainable Life Support Systems

The next step in human exploration of space is beyond low Earth orbit and possibly to sites such as the Moon and Mars. Resupply of critical life support components for missions such as these are difficult or impossible. Life support processes for closing the loop of water, oxygen and carbon have to be identified .. Currently, there are many technologies proposed for terrestrial missions for waste, water, air processing and the creation of consumables. There are a variety of different approaches, but few address all of these issues simultaneously. One candidate is pyrolysis; a method where waste streams can be heated in the absence of oxygen to undergo a thermochemical conversion producing a series of bioproducts. Bioproducts like biochar made from non-edible biomass and human solid waste can possibly provide valuable benefits such as waste reduction, regolith fertilization for increased food production, and become a consumable for water processing and air revitalization systems. Syngas containing hydrogen, carbon monoxide and c~bon dioxide, can be converted to methane and dimethyl ether to create propellants. Bio-oils can be utilized as a heating fuel or fed to bioreactors that utilize oil-eating microbes. Issues such as carbon sequestration and subsequent carbon balance of the closed system and identifying ideal process methods to achieve the highest quality products, whilst being energy friendly, will also be addressed.

McCoy, LaShelle E.↗

Molecular Origin of Wettability Alteration of Subsurface Porous Media upon Gas Pressure Variations

Upon extraction/injection of a large quantity of gas from/into a subsurface system in shale gas production or carbon sequestration, the gas pressure varies remarkably, which may significantly change the wettability of porous media involved. Mechanistic understanding of such changes is critical for designing and optimizing a related subsurface engineering process. Using molecular dynamics simulations, in this work we have calculated the contact angle of a water droplet on various solid surfaces (kerogen, pyrophyllite, calcite, gibbsite, and montmorillonite) as a function of CO 2 or CH 4 gas pressure up to 200 atm at a temperature of 300 K. The calculation reveals a complex behavior of surface wettability alteration by gas pressure variation depending on surface chemistry and structure, and molecular interactions of fluid molecules with surfaces. As the CO 2 gas pressure increases, a partially hydrophilic kerogen surface becomes highly hydrophobic, while a calcite surface becomes more hydrophilic. Considering kerogen and calcite being the major components of a shale formation, we postulate that the wettability alteration of a solid surface induced by a gas pressure change may play an important role in fluid flows in shale gas production and geological carbon sequestration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

29 Si solid state MAS NMR study on leaching behaviors and chemical stability of different Mg-silicate structures for CO 2 sequestration

Silicon is one of the most earth abundant elements, and thus, the fate and reactivity of silicate materials are often important for various energy and environmental technologies including carbon sequestration, where CO 2 is captured and stored as a thermodynamically stable solid carbonate phase. Thus, understanding the structures and chemistries of different silicate phases has become an important research aim. Here in this study, the changes in the silicate structures (Q 0 –Q 4 ) of heat-treated Mg-bearing mineral (serpentine) exposed to a CO 2 -water system (carbonic acid) was investigated using 29 Si MAS NMR, XRPD and ICP-OES and the identified structures were employed to explain complex leaching behaviors of silicate materials. The 29 Si MAS NMR and XRPD analysis indicated that the heat-treated serpentine is a mixture of amorphous (Q 1 : dehydroxylate I, Q 2 : enstatite, Q 4 : silica) and crystalline (Q 0 : forsterite, Q 3 : dehydroxylate II and serpentine) phase, while natural serpentine mineral has single crystalline Q 3 silicate structure. The leaching experiments showed that both Mg and Si in the amorphous silicate structures (Q 1 : dehydroxylate I, Q 2 : enstatite) are more soluble than those in crystalline phase (Q 0 : forsterite, Q 3 : dehydroxylate II and serpentine). Therefore, tuning the silicate structure towards Q 1 and Q 2 would significantly improve carbon sequestration potential of silicate minerals, whereas silicate materials with Q 3 structure would provide great chemical stabilities in acidic conditions. The solubilities of silicate structures were in the order of Q 1 (dehydroxylate I) > Q2 (enstatite) >> Q0 (forsterite) > Q3 (dehydroxylate II) > Q 3 (serpentine) and this finding can be used to better design a wide range of energy and environmental materials and reaction systems.

25 ENERGY STORAGE↗

Impacts of photovoltaic solar energy on soil carbon: A global systematic review and framework

Globally, solar energy is anticipated to be the primary source of electricity as early as 2050, and the greatest additions in capacity are currently in the form of large, ground-mounted photovoltaic solar energy facilities (GPVs). Growing interest lies in understanding and anticipating opportunities to increase soil carbon sequestration across the footprint and perimeter of both conventional and multi-use GPVs (e.g., ecovoltaics, agrivoltaics, and rangevolatics), especially as operators increasingly deputize as land managers. To date, studies on the relationship between soils and PV solar energy are limited to unique, localized sites. This study employed a systematic review to (i) identify a global corpus of 18 studies on interactions between GPVs and soils, (ii) collect and characterize 113 soil and soil-related experimental variables interacting with GPVs from this corpus, and (iii) synthesize trends among these experimental variables. Next, this study combined data from the systematic review with an iterative, knowledge co-production approach to produce a conceptual model for the study of soil and GPV interactions that applies to multiple installation types, scales, and contexts where GPVs are deployed, and identified research opportunities, threats, and priorities. This study's baseline understanding, conceptual model, and co-produced knowledge confer unique insight into the feasibility of combining soil carbon sequestration with the climate change mitigation potential of PV solar energy.

agrivoltaics↗

The hidden influence of terrestrial groundwater on salt marsh function and resilience

Salt marshes are hotspots of nutrient processing and carbon sequestration. So far, studies addressing spatiotemporal variability in and drivers of salt marsh biogeochemical function, carbon storage and resilience have focused on ocean-driven surface hydrologic influences, neglecting effects of terrestrial hydrology through subsurface connections. Here we evaluate drivers of salt marsh redox potential, a proxy for biogeochemical state, through wavelet analyses and information theory using data from seven marshes. The results point to terrestrial groundwater level as a dominant control on redox variability across all sites. Because redox is a key driver of biogeochemical processes, and specifically oxidation of organic matter that sequesters carbon and maintains marsh elevation, these terrestrial influences are critical to understanding marsh function and evolution. Further, the newly identified links between onshore groundwater levels and marsh redox conditions shift the traditional paradigm and suggest that terrestrial hydrology is a primary control on salt marsh carbon sequestration potential and resilience.

54 ENVIRONMENTAL SCIENCES↗

T2Well-ECO2NV2 v1.0 beta

T2Well-ECO2NV2 combines the T2Well code for simulating coupled well-reservoir fluid and heat flow with the ECO2N Version 2.0 equation of state module for calculating the fluid properties of water-CO2-salt mixtures at high temperatures. The combination of these two capabilities in T2Well-ECO2NV2 creates the capability of simulating injection and withdrawal of fluids in high-Temperature geothermal or geologic carbon sequestration systems. While the previously released T2Well-ECO2N Version 1.0 was useful for geologic carbon sequestration, the new T2Well-ECO2NV2 has capabilities for higher temperature and thereby allows the simulation of CO2-rich geothermal systems.

Oldenburg, CurtisM↗

Controls on Variations of Surface Energy, Water, and Carbon Budgets within Large-Scale Amazon Basin

A key research focus of the LBA Research Program is understanding the space-time variations in interlinked surface energy, water, and carbon budgets, the controls on these variations, and the implications of these controls on the carbon sequestering capacity of the large scale forest-pasture system that dominates the Amaz6nia landscape. Quantification of these variations and controls are investigated by a combination of in situ measurements, remotely sensed measurements from space, and a realistically forced hydrometeorological model coupled to a carbon assimilation model, capable of simulating details within the surface energy and water budgets along with the principle processes of photosynthesis and respiration. Herein we describe the results of an investigation concerning the space-time controls of carbon sources and sinks distributed over the large scale Amazon basin. The results are derived from a carbon-water-energy budget retrieval system for the large scale Amazon basin, which uses a coupled carbon assimilation-hydrometeorological model as an integrating system, forced by both in situ meteorological measurements and remotely sensed radiation and precipitation fluxes obtained from a combination of GOES, SSM/I, TOMS, and TRh4M satellite measurements. Results include validation of (a) retrieved surface radiation and precipitation fluxes based on 30-min averaged surface measurements taken at Ji-Parani in Rondania and Manaus in Amazonas, and (b) modeled sensible, latent, and C02 fluxes based on tower measurements taken at Reserva Jaru, Manaus and Fazenda Nossa Senhora. The space-time controls on carbon sequestration are partitioned into sets of factors classified by: (1) above canopy meteorology, (2) incoming surface radiation, (3) precipitation interception, and (4) indigenous stomatal processes varied over the different land covers of pristine rainforest, partially, and fully logged rainforests, and pasture lands. These are the principle meteorological, thermodynamical, hydrological, and biophysical control paths which perturb net carbon fluxes and sequestration, produce time-space switching of carbon sources and sinks, undergo modulation through atmospheric boundary layer feedbacks, and respond to any discontinuous intervention on the landscape itself such as produced by human intervention in converting rainforest to pasture or conducting selective/clearcut logging operations. The results demonstrate how relative carbon sequestration capacity of the Amazonian ecosystem responds to these controls, and how interpretation of space-time heterogeneities in carbon sequestration depends on a fairly exact quantification of the interacting non-linear properties of photosynthesis in response to incoming solar flux, air-canopy temperatures, and leaf water interception -- and soil respiration in response to upper layer soil temperature and water content. The results also show how the interpretation of the control processes is highly sensitive to the scales at which the surface fluxes are analyzed.

Smith, Eric A.↗

Dated soil C–N–P profiles, water quality, and chamber fluxes across Ohio and Michigan wetlands (2024–2025)

This dataset includes dated soil core chemistry (bulk density, phosphorus, nitrogen and carbon concentrations), water quality, and chamber flux measurements collected from wetlands in the Midwest United States—12 sites in Ohio, one site in Indiana, one site in Michigan—collected in the spring or summer of 2024 or 2025, all in (.csv) format. These data were generated to examine how wetland restoration, management activities, and time since restoration affect biogeochemical processes, carbon sequestration, nutrient accumulation, water quality, and greenhouse gas emissions. Specifically, these data aim to investigate how restored wetlands differ from natural wetlands in terms of carbon, nitrogen, phosphorus dynamics, as well as carbon dioxide and methane fluxes. Also included are surface and porewater quality parameters and chamber flux measurements across these different wetlands. Sampling was conducted at various sites representing a range of restoration stages, from about 4 years post-restoration up to 105 years post-restoration, and also includes a natural wetland used as a reference in Michigan. These data can be used to determine carbon sequestration rates, nutrient cycling, and to enhance our understanding of biogeochemical responses to wetland restoration in temperate ecosystems. This data package contains (1) a csv file (Water_Quality.csv) containing water quality data (dissolved organic carbon, total dissolved nitrogen, and temperature) organized by location; (2) a csv file (Soil_C_N_P_Seq.csv) containing carbon, nitrogen, and phosphorus concentrations at each soil level and time of each soil level, as well as their sequestration rates; (3) a csv file (CH4_CO2_Flux.csv) including methane and carbon dioxide fluxes that were measured with a chamber; (4) a file-level metadata (FLMD.csv) file that lists each file contained in the dataset with associated metadata; (5) a data dictionary (DD.csv) file that contains terms/column headers used throughout the files along with a definition, units, and data type; and (6) a locations metadata file (Location_metadata.csv).

Earth Science > Atmosphere > Atmospheric Chemistry↗

Spray Manufacturing Thermal Insulation Composites

Cellulose-based thermal insulation materials present significant potential for modern green building applications due to their inherent carbon sequestration properties. However, traditional manufacturing of composites often results in the limited thermal insulation performance and embodied carbon footprint due to an increased density from material shrinkage and higher energy consumption during the water-based slurry drying process. Here, we report solvent spraying coupled with dry powder feedstock to manufacture highly porous silica/straw insulation composites. The manufactured composite exhibits negligible shrinkage with the density of 0.08 g/cm 3 , thermal conductivity of 27.8 mW/(m·K), flexural modulus of 3.1 MPa, and compressive modulus of 0.89 MPa. Additionally, the prepared composite demonstrates fire retardancy (burning rate of 0.5 mm/min) and recyclability (99%). Furthermore, this solvent-spraying strategy opens up opportunities of energy-efficient insulation materials for carbon-sequestration building sectors.

36 MATERIALS SCIENCE↗

Alternative stable states of the forest mycobiome are maintained through positive feedbacks

Most trees on Earth form a symbiosis with either arbuscular mycorrhizal or ectomycorrhizal fungi. By forming common mycorrhizal networks, actively modifying the soil environment and other ecological mechanisms, these contrasting symbioses may generate positive feedbacks that favour their own mycorrhizal strategy (that is, the con-mycorrhizal strategy) at the expense of the alternative strategy. Positive con-mycorrhizal feedbacks set the stage for alternative stable states of forests and their fungi, where the presence of different forest mycorrhizal strategies is determined not only by external environmental conditions but also mycorrhiza-mediated feedbacks embedded within the forest ecosystem. Here, in this work, we test this hypothesis using thousands of US forest inventory sites to show that arbuscular and ectomycorrhizal tree recruitment and survival exhibit positive con-mycorrhizal density dependence. Data-driven simulations show that these positive feedbacks are sufficient in magnitude to generate and maintain alternative stable states of the forest mycobiome. Given the links between forest mycorrhizal strategy and carbon sequestration potential, the presence of mycorrhizal-mediated alternative stable states affects how we forecast forest composition, carbon sequestration and terrestrial climate feedbacks.

54 ENVIRONMENTAL SCIENCES↗

Differential Muon Tomography to Continuously Monitor Changes in the Composition of Subsurface Fluids

Muon tomography has been used to seek hidden chambers in Egyptian pyramids and image subsurface features in volcanoes. It seemed likely that it could be used to image injected, supercritical carbon dioxide as it is emplaced in porous geological structures being used for carbon sequestration, and also to check on subsequent leakage. It should work equally well in any other application where there are two fluids of different densities, such as water and oil, or carbon dioxide and heavy oil in oil reservoirs. Continuous monitoring of movement of oil and/or flood fluid during enhanced oil recovery activities for managing injection is important for economic reasons. Checking on leakage for geological carbon storage is essential both for safety and for economic purposes. Current technology (for example, repeat 3D seismic surveys) is expensive and episodic. Muons are generated by high- energy cosmic rays resulting from supernova explosions, and interact with gas molecules in the atmosphere. This innovation has produced a theoretical model of muon attenuation in the thickness of rock above and within a typical sandstone reservoir at a depth of between 1.00 and 1.25 km. Because this first simulation was focused on carbon sequestration, the innovators chose depths sufficient for the pressure there to ensure that the carbon dioxide would be supercritical. This innovation demonstrates for the first time the feasibility of using the natural cosmic-ray muon flux to generate continuous tomographic images of carbon dioxide in a storage site. The muon flux is attenuated to an extent dependent on, amongst other things, the density of the materials through which it passes. The density of supercritical carbon dioxide is only three quarters that of the brine in the reservoir that it displaces. The first realistic simulations indicate that changes as small as 0.4% in the storage site bulk density could be detected (equivalent to 7% of the porosity, in this specific case). The initial muon flux is effectively constant at the surface of the Earth. Sensitivity of the method would be decreased with increasing depth. However, sensitivity can be improved by emplacing a greater array of particle detectors at the base of the reservoir.

Coleman, Max↗

Monitoring, Reporting, and Verification Considerations for Carbon Dioxide Removal

The project investigates Measurement, Reporting, and Verification (MRV) methods for Enhanced Weathering and Marine Carbon Dioxide Removal (mCDR) technologies. Enhanced Weathering accelerates natural mineral processes to capture CO2, while mCDR leverages oceanic processes for carbon sequestration. The study focuses on developing standardized MRV protocols, assessing environmental impacts, and evaluating the scalability and economic feasibility of these carbon sequestration methods. The goal is to ensure reliable and transparent data for validating and improving CO2 removal technologies.

Priyadarshini↗

Computed Tomography Scanning and Geophysical Measurements of the One Earth Energy Well #1 Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize the Lower Mt. Simon Sandstone and Eau Claire Formation core from the One Earth Energy Well #1 (OEE Well #1) in the Illinois Basin. The primary impetus of this work is a collaboration between the U.S. Department of Energy (DOE), the Illinois State Geological Survey (ISGS), the University of Illinois, and One Earth Energy to characterize and make publicly available core information of interest to carbon sequestration efforts in the Illinois Basin. This stratigraphic well and the core data produced in this report will aid in understanding the carbon sequestration potential of the Lower Mt. Simon Sandstone and the sealing capacity of the overlying units. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/illinois-storage-corridor-one-earth-energy-1-core.

47 OTHER INSTRUMENTATION↗

Assessing Impacts of Plant Stoichiometric Traits on Terrestrial Ecosystem Carbon Accumulation Using the E3SM Land Model

Carbon (C) enters into the terrestrial ecosystems via photosynthesis and cycles through the system together with other essential nutrients (i.e., nitrogen [N] and phosphorus [P]). Such a strong coupling of C, N, and P leads to the theoretical prediction that limited nutrient availability will limit photosynthesis rate, plant growth, and future terrestrial C dynamics. However, the lack of reliable information about plant tissue stoichiometric constraints remains a challenge for quantifying nutrient limitations on projected global C cycling. In this study, we harmonized observed plant tissue C:N:P stoichiometry from more than 6,000 plant species with the commonly used plant functional type framework in global land models. Using observed C:N:P stoichiometry and the flexibility of these ratios as emergent plant traits, we show that observationally constrained fixed plant stoichiometry does not improve model estimates of present-day C dynamics compared with unconstrained stoichiometry. However, adopting stoichiometric flexibility significantly improves model predictions of C fluxes and stocks. The 21st century simulations with RCP8.5 CO 2 concentrations show that stoichiometric flexibility, rather than baseline stoichiometric ratios, is the dominant controller of plant productivity and ecosystem C accumulation in modeled responses to CO 2 fertilization. The enhanced nutrient limitations and plant P use efficiency mainly explain this result. This study is consistent with the previous consensus that nutrient availability will limit xfuture land carbon sequestration but challenges the idea that imbalances between C and nutrient supplies and fixed stoichiometry limit future land C sinks. We show here that it is necessary to represent nutrient stoichiometric flexibility in models to accurately project future terrestrial ecosystem carbon sequestration.

54 ENVIRONMENTAL SCIENCES↗

Life cycle of carbon in macroalgae for various products

This paper seeks to understand the life cycle and permanence of carbon sequestration for the many possible products of offshore cultivated macroalgae, compared to natural growth, habitat restoration, and intentional sinking. The paper will systematically review existing life cycle analyses (LCAs) for various macroalgae products to identify information gaps and compare the carbon sequestration potential throughout each product life cycle. The sequestration potential of macroalgae is well documented (e.g. Chung et al., 2011; Krause-Jensen & Duarte, 2016) but the permanence of the capture is not understood for harvested macroalgae or end products, which may or may not release the stored carbon dioxide in processing or consumption. This information is necessary to avoid overestimating the benefit and impacts of federal investment in large-scale seaweed aquaculture. The goal of this report is to: 1) Review published LCAs for various macroalgae products and uses; 2) Identify knowledge gaps (experiments and monitoring) to understand the flow of carbon on various time scales; 3) Develop preliminary ranking of macroalgae products by carbon capture effectiveness and permanence.

54 ENVIRONMENTAL SCIENCES↗