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At least 721 records · Page 40

Overview of the Origins Space Telescope: Science Drivers to Observatory Requirements

e Origins Space Telescope (OST) mission concept study is the subject of one of the four science and technology definition studies supported by NASA Headquarters to prepare for the 2020 Astronomy and Astrophysics Decadal Survey. OST will survey the most distant galaxies to discern the rise of metals and dust and to unveil the co-evolution of galaxy and blackhole formation, study the Milky Way to follow the path of water from the interstellar medium to habitable worlds in planetary systems, and measure biosignatures from exoplanets. This paper describes the science drivers and how they drove key requirements for OST Mission Concept 2, which will operate between ~5 and ~600 microns with a JWST sized telescope. Mission Concept 2 for the OST study optimizes the engineering for the key science cases into a powerful and more economical observatory compared to Mission Concept 1.

Meixner, Margaret↗

The NASA Micro-Pulse Lidar Network (MPLNET): Co-location of Lidars with AERONET

We present the formation of a global-ground based eye-safe lidar network, the NASA Micro-Pulse Lidar Network (MPLNET). The aim of MPLNET is to acquire long-term observations of aerosol and cloud vertical profiles at unique geographic sites within the NASA Aerosol Robotic Network (AERONET). Network growth follows a federated approach, pioneered by AERONET, wherein independent research groups may join MPLNET with their own instrument and site. MPLNET utilizes standard instrumentation and data processing algorithms for efficient network operations and direct comparison of data between each site. The micro-pulse lidar is eye-safe, compact, and commercially available, and most easily allows growth of the network without sacrificing standardized instrumentation gods. Red-time data products (next-day) are available, and include Level 1 daily lidar signal images from the surface to -2Okm, and Level 1.5 aerosol extinction provides at times co-incident with AERONET observations. Testing of our quality assured aerosol extinction products, Level 2, is near completion and data will soon be available. Level 3 products, continuous daylight aerosol extinction profiles, are under development and testing has begun. An overview of h4PL" will be presented. Successful methods of merging standardized lidar operations with AERONET will also be discussed, with the first 4 years of MPLNET results serving as an example.

Welton, Ellsworth J.↗

Where massive stars form - Associated radio H II regions and CO clouds in the northern Milky Way

The sites of massive star formation in molecular clouds are investigated by comparing high-resolution radio surveys of molecular and ionized gas emission in the Milky Way. CO emission maps from the Massachusetts-Stony Brook survey of the first Galactic quadrant are used to locate, in l, b, and v, the molecular clouds associated with radio recombination-line H II regions. It is found that the radio H II regions are typically associated with giant molecular clouds (GMCs) with diameters of 20-60 pc and virial masses of 100,000 to a million solar masses. The radio H II regions appear preferentially concentrated toward the centers of the GMCs, contrary to the 'blister' picture of massive star formation on cloud surfaces.

Waller, W. H.↗

Thermodynamics of the Metal Carbonates and Bicarbonates of Mn, Co, Ni, Cu, and Zn Relevant to Mineral Energetics

The gas phase heats of formation of ground-state MCO 3 , M(HCO 3 ) 2 , and M(HCO 3 )(OH), where M = Mn, Co, Ni, Cu, and Zn, have been predicted using the correlated molecular orbital theory at the CCSD(T) level extrapolated to the complete basis set limit using the Feller–Peterson–Dixon (FPD) approach. Cohesive energies of the carbonates were predicted based on the calculated gas phase and experimental solid heats of formation. Coulombic dissociation energies (CDEs) between metal cations and anions show a near-linear correlation with Shannon metal cation atomic radii, yet no correlation is found with the hardness of these cations. The total reaction dissociation energies (TRDEs) of transition metals are higher than their CDEs for the di-bicarbonates, in contrast to those for Mg and Ca based on our prior work. In addition to differences in the energies needed to prepare the transition metal dications, electron donation from the ligands to the 3d orbitals of open-shell transition metal dications from lone pairs of adjacent O atoms also plays a role. No electron donation from the ligands to the fully occupied 3d orbitals of Zn and Cd was found. Decomposition energies for generating MO, CO 2 , and/or H 2 O were calculated. Gas phase metal exchange energies only partially correlate with the electrochemical series for M(s) → M 2+( aq). The FPD heats of formation were used to benchmark a range of density functional theory exchange–correlation functionals, including those commonly used in solid-state mineral calculations. None of the functionals provided chemical accuracy agreement (±1 kcal/mol) with the FPD results. So, the best agreement with the FPD results is predicted for the $\tau$-HCTH functional with an average unsigned error of 8.3 kcal/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tuning Methanol Transformation Pathways for Sustainable Steam Reforming: Na-Promotion Effects on Ag/m-ZrO 2 Catalysts

This work investigates the influence of sodium promotion on Ag/m-ZrO 2 catalysts for methanol steam reforming (MSR), focusing on activity, selectivity, surface chemistry, and mechanistic pathways. Temperature programmed reduction (TPR), XANES/EXAFS, CO 2 TPD, DRIFTS, and temperature programmed surface reaction methods were combined with fixed bed MSR testing to develop an integrated structure–function understanding of Na-modified Ag-ZrO 2 interfaces. Na addition systematically increases surface basicity, stabilizes strongly basic O 2− sites, and weakens the ν(CH) vibrational mode of surface formate, thereby facilitating C–H bond scission and accelerating decarboxylation to CO 2 . At moderate promoter levels (0.5–1.0 wt.% Na), the catalysts show significantly enhanced CO 2 selectivity and increased conversion relative to unpromoted Ag/m-ZrO 2 , while CH 4 formation remains negligible. Excessive Na (≥1.8 wt.%) leads to slower formate decomposition, greater carbonate stabilization, and suppressed conversion, revealing a narrow optimum around 1 wt.% Na. Short-term stability testing demonstrates steady conversion and product selectivity for both unpromoted and Na-promoted catalysts, with the latter maintaining markedly higher CO 2 selectivity. Although Pt/YSZ retains far superior intrinsic activity at ~10× higher space velocity, Ag offers a cost-advantaged alternative where lower cost metals are desirable. Collectively, these findings show that Na promotion enables tunable MSR selectivity on Ag/m-ZrO 2 by directing formate decomposition toward the CO 2 -forming pathway.

CO2 selectivity↗

Ionic Pairs-Engineered Fluorinated Covalent Organic Frameworks Toward Direct Air Capture of CO 2

The covalent organic frameworks (COFs) possessing high crystallinity and capability to capture low-concentration CO 2 (400 ppm) from air are still underdeveloped. The challenge lies in simultaneously incorporating high-density active sites for CO 2 insertion and maintaining the ordered structure. Herein, a structure engineering approach is developed to afford an ionic pair-functionalized crystalline and stable fluorinated COF (F-COF) skeleton. The ordered structure of the F-COF is well maintained after the integration of abundant basic fluorinated alcoholate anions, as revealed by synchrotron X-ray scattering experiments. The breakthrough test demonstrates its attractive performance in capturing (400 ppm) CO 2 from gas mixtures via O$-$C bond formation, as indicated by the in situ spectroscopy and operando nuclear magnetic resonance spectroscopy using 13 C-labeled CO 2 sources. Both theoretical and experimental thermodynamic studies reveal the reaction enthalpy of ≈-40 kJ mol -1 between CO 2 and the COF scaffolds. This implies weaker interaction strength compared with state-of-the-art amine-derived sorbents, thus allowing complete CO 2 release with less energy input. The structure evolution study from synchrotron X-ray scattering and small-angle neutron scattering confirms the well-maintained crystalline patterns after CO 2 insertion. In conclusion, the as-developed proof-of-concept approach provides guidance on anchoring binding sites for direct air capture (DAC) of CO 2 in crystalline scaffolds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fast molecular shocks. I - Reformation of molecules behind a dissociative shock

The physical and chemical processes that operate in the cooling gas behind a fast, dissociative, single-fluid shock propagating in a dense interstellar cloud are discussed. The treatment extends previous theoretical work on fast molecular shocks by including the effects of the conversion of Ly-alpha photons into radiation of the two-photon continuum and into H2 Lyman band emission lines, the effects of CO photodissociation following line absorption, and the formation and destruction of molecules containing the elements nitrogen, silicon, and sulphur, and of the complex hydrocarbons. Abundance profiles for the molecular species of interest are presented. After molecular hydrogen begins to reform, by means of gas phase and grain surface processes, the neutral species OH, H2O, O2, CO, CN, HCN, N2, NO, SO, and SiO reach substantial abundances. The molecular ions HeH(+), OH(+), SO(+), CH(+), H2(+), and H3(+), are produced while the gas is still hot and partially ionized. Emissions from them provide a possible diagnostic probe of fast molecular shocks.

Neufeld, David A.↗

Enhancing CO 2 Storage Complex Characterization in the Williston Basin: An Integrated Approach of Petrophysical Evaluation and Core Analysis

Conference presentation at Carbon Capture, Utilization, and Storage (CCUS) Conference 2024, Houston, Texas, March 11–13, 2024. Petrophysics and core analysis are pivotal in carbon capture and storage (CCS). An integrated workflow including conventional and advanced well logs and core analysis (CCAL and SCAL) was developed to characterize the Broom Creek Formation as the target reservoir to store CO 2 in a CCS project in North Dakota.

02 PETROLEUM↗

CarbonSAFE Phase II: Optimizing Alabama’s CO 2 Storage in Shelby County, Alabama (Project OASIS), Milestone M3 - Site Specific Drilling Report

The Phase II Storage Complex Feasibility project, entitled "Optimizing Alabama's CO 2 Storage in Shelby County, Alabama (Project OASIS)," is a part of the DOE/NETL's CarbonSAFE initiative. The Project is managed by the Southern States Energy Board (SSEB), and includes participation from Advanced Resources International, Inc. (ARI), Crescent Resource Innovation, Southern Company, Alabama A&M University, Auburn University, and Oklahoma State University. Project OASIS is working to establish the foundation for a commercial-scale geologic storage complex for CO 2 captured from Plant Gaston (home of the National Carbon Capture Center) and surrounding industrial sources of CO 2 located in Shelby County, Alabama. The Project objectives are: • Demonstrate that the subsurface saline formations at the storage complex can store commercial volumes of CO 2 safely and permanently. • Develop a comprehensive Community Benefits Plan. • Develop the infrastructure framework for a CO 2 storage hub. • Develop a rigorous risk registry and to conduct a comprehensive risk assessment. • Develop a monitoring plan. • Develop a comprehensive site characterization plan to support an Underground Injection Control Class VI Permit in a future Phase III program. • Evaluate the commercial viability of the project. Project OASIS is about 30 miles southeast of Birmingham, Alabama within a geologic province called the Valley and Ridge (Figure 1.1). The Valley and Ridge Province comprises a sequence of Paleozoic carbonate and clastic rocks that underwent structural deformation during the Alleghanian Orogeny. Storage prospects occur in relatively flat lying structural panels located between thrust faults. Available geologic studies related to hydrocarbon exploration suggest that Cambro-Ordovician carbonates and Cambrian clastic units offer multiple potential storage intervals, and that regional confining systems are present, such as the tectonically thickened Floyd-Parkwood Shale. The surface property is owned by a timber and land stewardship company, The Westervelt Company, Inc., who worked with the Project Team to select and prepare adequate sites for geologic assessment. The purpose of drilling the Westover Stratigraphic Test Well #2 was to collect geologic data to model the feasibility of commercial scale CO 2 injection and storage. This includes geological and geophysical evaluations, reservoir engineering analyses, and risk assessments.

20 FOSSIL-FUELED POWER PLANTS↗

From carbon to climate action: harnessing basalt for geological carbon dioxide (CO 2 ) storage onshore and offshore

Abating emissions and reducing atmospheric concentrations of carbon dioxide (CO 2 ) are crucial in avoiding catastrophic climate change. Basalt reservoirs offer suitable CO 2 storage sites and are present onshore and offshore. This study compares the geological, economic and social aspects of CO 2 storage in both domains using two basalt formations from the Republic of Ireland: the Limerick Igneous Suite and the Druid Formation. Offshore reservoirs offer larger storage resources but are more expensive to develop. Nevertheless, both offer gigatonne-scale theoretical CO 2 storage. Reviewing public perception studies on wind energy demonstrates that the commonly held belief that offshore projects face less opposition owing to their distance from communities has been dispelled, while similar studies on carbon capture and removal show no preference for onshore or offshore development. Instead, a general scepticism towards carbon removal is observed, with concerns that it hinders broader decarbonization efforts. The desire of all stakeholders to be involved throughout project development is consistently observed. Lessons from offshore natural gas projects highlight the consequences of failing to engage with local communities. The Republic of Ireland has significant potential to deploy geological CO 2 storage in basalt reservoirs, but policy hurdles such as legal limits on storage volumes must be overcome to reconcile climate ambition and legislative capacity.

54 - ENVIRONMENTAL SCIENCES/GLOBAL CLIMATE CHANGE ↗

Coupled Transport, Reactivity, and Mechanics in Fractured Shale Caprocks

Abstract Shales are low‐permeability caprocks that confine fluid, such as CO 2 , nuclear waste, and hydrogen, in storage formations. Stress‐induced fractures in shale caprocks provide pathways for fluid to leak and potentially contaminate fresh water aquifers. Fractured shales are also increasingly considered as resources for CO 2 sequestration, enhanced geothermal, and unconventional energy recovery. Injecting reactive fluids into shales introduces chemical disequilibrium, causing an onset of a series of dissolution, precipitation, and fines mobilization mechanisms. The reactions have rapid kinetics and significant impact on porosity and permeability; consequently, flow and storage properties of caprocks. While previous research has explored the separate effects of these reactions, this study aims to uncover their simultaneous occurrence and collective influence. This study unveils these highly coupled transport and reactivity mechanisms by tracking and visualizing the reaction‐induced alterations in the matrix, microcracks, and fractures of shales over time. We conducted brine injection experiments sequentially at pH 4 and 2 in a naturally fractured Wolfcamp shale sample while simultaneously imaging the dynamic processes using X‐ray computed tomography (CT). CT images are validated by finer resolution images obtained using micro‐CT and scanning electron microscopy. We also tracked the sample permeability and fluid chemistry using brine permeability and inductively coupled plasma mass spectrometry, respectively. Findings show that fluid primarily flowed through fractures, dissolving reactive minerals and mobilizing fines on fracture surfaces. Dissolution of fracture asperities under confining stress resulted in the closing of fractures. Clogging in narrow fracture pathways, caused by fines accumulation, diverted fluid flow into matrix pores.

58 GEOSCIENCES↗

Elucidating the role of earth alkaline doping in perovskite-based methane dry reforming catalysts

To elucidate the role of earth alkaline doping in perovskite-based dry reforming of methane (DRM) catalysts, we embarked on a comparative and exemplary study of a Ni-based Sm perovskite with and without Sr doping. While the Sr-doped material appears as a structure-pure Sm 1.5 Sr 0.5 NiO 4 Ruddlesden Popper structure, the undoped material is a NiO/monoclinic Sm 2 O 3 composite. Hydrogen pre-reduction or direct activation in the DRM mixture in all cases yields either active Ni/Sm 2 O 3 or Ni/Sm 2 O 3 /SrCO 3 materials, with albeit different short-term stability and deactivation behavior. The much smaller Ni particle size after hydrogen reduction of Sm 1.5 Sr 0.5 NiO 4 , and of generally all undoped materials stabilizes the short and long-term DRM activity. Carbon dioxide reactivity manifests itself in the direct formation of SrCO 3 in the case of Sm 1.5 Sr 0.5 NiO 4 , which is dominant at high temperatures. For Sm 1.5 Sr 0.5 NiO 4 , the CO : H 2 ratio exceeds 1 at these temperatures, which is attributed to faster direct carbon dioxide conversion to SrCO 3 without catalytic DRM reactivity. As no Sm 2 O 2 CO 3 surface or bulk phase as a result of carbon dioxide activation was observed for any material – in contrast to La 2 O 2 CO 3 – we suggest that oxy-carbonate formation plays only a minor role for DRM reactivity. Rather, we identify surface graphitic carbon as the potentially reactive intermediate. Graphitic carbon has already been shown as a crucial reaction intermediate in metal-oxide DRM catalysts and appears both for Sm 1.5 Sr 0.5 NiO 4 and NiO/monoclinic Sm 2 O 3 after reaction as crystalline structure. It is significantly more pronounced for the latter due to the higher amount of oxygen-deficient monoclinic Sm 2 O 3 facilitating carbon dioxide activation. Despite the often reported beneficial role of earth alkaline dopants in DRM catalysis, we show that the situation is more complex. In our studies, the detrimental role of earth alkaline doping manifests itself in the exclusive formation of the sole stable carbonated species and a general destabilization of the Ni/monoclinic Sm 2 O 3 interface by favoring Ni particle sintering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ionic Interdiffusion at Cathode|Solid-Electrolyte Interface: A Machine Learning–Assisted Multiscale Investigation and Mitigation Strategies

Future lithium batteries are expected to use solid electrolytes to achieve higher energy density and fast charge capabilities. However, most solid electrolytes are thermodynamically unstable against layered oxide cathodes. In this study, the stability of LiCoO2 (LCO) cathode with Li10GeP2S12 (LGPS) solid electrolyte is investigated using ab initio molecular dynamics (AIMD) and machine learning molecular dynamics (MLMD). The propensity of ionic interdiffusion, formation of a passivating interphase layer, and corresponding decay in cell performance is addressed using a continuum model. Large-scale MLMD simulations confirm that the LCO|LGPS interface permits interdiffusion of cobalt (Co) and other ionic species, leading to the formation and growth of a resistive interphase and to dramatic capacity fade even in the first cycle. We examine the literature evidence that incorporating a thin layer of LiNb0.5Ta0.5O3 (LNTO) between LCO and LGPS prevents the interdiffusion of ions. Atomistic simulations suggest that substituting lithium (Li) in LNTO with Co is thermodynamically unfavorable, thereby inhibiting ionic interdiffusion. The stable Nb5+/Ta5+ states form a rigid metal-oxide framework, which consequently also prevents the substitution of niobium (Nb) or tantalum (Ta). However, continuum-level analysis suggests that the higher mechanical stiffness of LNTO can lead to interfacial delamination between the LCO and LNTO. This phenomenon reduces the effectiveness of the protective layer. This paper, therefore, highlights the need to develop novel interlayers that balance low ionic interdiffusion with low mechanical stiffness.

Ncube, Musawenkosi K.↗

Effects of Supercritical CO 2 Injection on the Shale Pore Structures and Mass Transport Rates

Characterizing the pore structures and transport properties of low-permeability shales is critical for evaluating these formations as potential seals or storage sites for geological CO 2 sequestration. Here, we use low-pressure gas adsorption in conjunction with nuclear magnetic resonance (NMR) to characterize the pore-size distribution of shales before and after injection of supercritical CO 2 . Nitrogen gas was used as the detecting phase for the adsorption experiments and pentane liquid was used for the NMR experiments. We also performed time-resolved NMR and gravimetric microbalance measurements to observe mass transport during desaturation. We use these data to estimate the self-diffusion coefficient of pentane and changes in the saturation state of the pore network. We analyzed samples with a range of compositions from the Wolfcamp shale before and after exposure to supercritical CO 2 for 3 days. Integrating the gas adsorption and NMR data shows how supercritical CO 2 injection alters the pore-size distribution for pore sizes <1 nm to 1 mm. Finally, our results provide insights on how the pore structure and mass transport properties of different shale lithologies may evolve during storage of supercritical CO 2 .

58 GEOSCIENCES↗

Examining the Reactions of Ethanolamine’s Thermal Degradation Compounds in Carbon Capture through 1 H NMR and 13 C NMR

In amine scrubbing carbon capture, concerns about amine solvent degradation include whether it can affect the ability of the solvent to capture CO 2 . This study examines the interactions between the three most reported monoethanolamine (MEA) thermal degradation compounds namely, oxazolidine-2-one (OZD), N-(2-hydroxyethyl)-ethylenediamine (HEEDA), and N-(2- hydroxyethyl)-imidazoline-2-one (HEIA) with CO 2 in the presence and absence of MEA. We compared 1 H NMR, 13 C NMR, and heteronuclear single-quantum coherence (HSQC) NMR for neat OZD, HEEDA, and HEIA samples with CO 2 -loaded samples to observe changes in protonation and unique carbamate species formation. We found that OZD and HEIA did not directly react with CO 2 or undergo proton shifting based on our comparison of the neat OZD and HEIA samples with CO 2 -loaded spectra. However, we observed that the OZD can protonate when sparged with CO 2 in the presence of MEA, which suggests that the OZD acts as an intermediate. The NMR spectra for HEEDA indicated that HEEDA directly reacts with CO 2 at both amino groups and can protonate. In the presence of MEA, HEEDA and MEA can act like a solvent blend, resulting in multiple carbamates forming within the solvent. The neat HEIA spectrum, compared with CO 2 -loaded HEIA spectra, revealed similar results as OZD, where it does not react with CO 2 or protonate directly. However, HEIA does not protonate in the presence of MEA. These degradation compound reactions can increase the number of general equilibrium reactions during carbon capture and impact the model MEA solvent. This work helps provide a more complete picture of the reactions as the solvent degrades. Although this study examines CO 2 effects on thermal degradation products for MEA, other amines such as piperazine or 1- amino-3-propanol will degrade, and the degradation may speciate similarly with CO 2 . Furthermore, this study can impact and improve process models by assessing the degradation compounds’ reactions with CO 2 and potentially incorporating them into the model based on a neat solvent.

20 FOSSIL-FUELED POWER PLANTS↗

T–x diagrams for the CO 2 –H 2 O system: The importance of water content in CO 2 transportation for carbon capture and storage

Abstract When water is present in a CO 2 pipeline, corrosion or plugging can occur due to the formation of liquid water or gas hydrate, respectively. Understanding how corrosion and hydrate plugging can be avoided is important for enhanced oil recovery and carbon dioxide capture and storage processes. If the CO 2 is sufficiently dried prior to transportation, the formation of these problematic free‐water phases can be avoided. In this work, isobaric T–x diagrams were developed from the P–T diagram for the CO 2 –H 2 O binary system. Pressures ranging from just below the lower quadruple point to above the lower critical end point were studied. These diagrams are meant to give the reader a better conceptual understanding of how the water composition in CO 2 –H 2 O mixtures will influence phases that form at different temperatures and pressures. The diagrams are analyzed from the perspective of flow assurance in CO 2 transportation.

Wadsworth, Lindsey A.↗

CO observations of southern mergers

There are good reasons to believe that the formation of some elliptical galaxies result from the merging of two disk galaxies, as Toomre and Toomre first suggested (1972, Ap. J. 178, 623). Such a process strongly enhances the star-formation activity of the system, thus consuming its molecular gas. This might account for the low cold-gas content of elliptical galaxies compared to that of spirals. Researchers present here CO(1-0) and CO(2-1) observations of a sequence of three objects, NGC 1614, NGC 3256, and NGC 7252, that present characteristic features of merger remnants: single body and extended tidal tails. NGC 3256 and 7252 even exhibit the r(exp 1/4) radial light distribution that is the signature of elliptical galaxies, which indicates that their stellar bodies are in late stages of relaxation. Both NGC 1614 and NGC 3256 undergo extended bursts of star formation revealed by their large far-infrared luminosities, and by the presence in the near-infrared spectrum of the 3.28 microns feature (Morwood: 1986, A. A. 166, 4) attributed to polycyclic aromatic hydrocarbons. On the other hand, NGC 7252 has a milder activity of star formation, as suggested by a lower infrared luminosity, and thus seems to have gone past the starburst phase. The CO data were collected with the Swedish-ESO 15 m Submillimeter Telescope (SEST) (beamsize = 43 seconds at 115 GHz, 23 seconds at 230 GHz). For NGC 7252, researchers have only observed the central position in CO-12(1-0). The spectrum is displayed together with an HI spectrum obtained with the Nancay radiotelescope. Researchers mapped NGC 1614 and NGC 3256 in CO-12(1-0) and CO-12(2-1), and also observed the nucleus of NGC 3256 in CO-13(1-0). The various CO spectra obtained towards the nuclei of both galaxies are presented. Characteristics of the galaxies are gathered, with luminosities and masses in solar units and temperatures in Kelvins.

Casoli, F.↗