Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “CO2 Transport”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Industrial Carbon Capture from a Cement Facility Using the Cryocap™ FG Process

The objective of the project was to execute and complete front-end engineering and design (FEED) studies for commercial-scale, carbon capture projects that separate 95% of the total CO 2 emissions at an industrial facility, producing at least 100,000 metric tonnes/year of CO 2 for sequestration. The industrial facility selected is the Holcim (US) Ste. Genevieve cement manufacturing facility (the largest single kiln line in the world), while the carbon capture system selected is Pressure Swing Adsorption system (PSA) assisted Cryocap™ technology developed by Air Liquide. The industrial host site emits approximately 3 million tonnes CO 2 /year based on plant data from 2020-2022. The captured CO 2 will meet the requirements of transport (Pipeline Grade) and geological storage, and the geological storage facilities within 80 miles of the CO 2 source. The impact of the project on Environmental Justice and the regional economy was also analyzed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

On the combustion of n-butyl acetate droplets

This paper presents an experimental and numerical study of the combustion of isolated n‑butyl acetate droplets in the standard atmosphere. Numerical simulations are reported using a model that incorporates unsteady gas and liquid transport, variable properties, and radiation. Three skeletal mechanisms of n‑butyl acetate, derived from a large detailed mechanism comprised of 819 species and 52,698 reactions, were used in the numerical simulations to evaluate the influence of the kinetic mechanism on burning. The reduced mechanisms comprised 212 species and 5413 reactions, 157 species and 3089 reactions, and 105 species and 1035 reactions. The numerical model did not include soot formation, though qualitatively mild sooting was noted only for droplets larger than 0.7 mm. The numerical predictions were in good agreement with experimental measurements of droplet and flame diameters. Flame extinction was numerically predicted which was attributed to a decrease of the characteristic diffusion time relative to the chemical time as droplet burned. Effects of initial droplet diameter on the evolution of maximum gas temperature (Tmax) and peak mole fractions of CO2 and CO are also examined numerically.

09 BIOMASS FUELS↗
NASA NTRS2003

Ultra-Efficient Engine Technology Project Continued to Contribute to Breakthrough Technologies

The International Civil Aviation Organization (ICAO), the U.S. Environmental Protection Agency (EPA), local environmental groups, and the public have become increasingly concerned over damage to local air quality from aircraft emissions and the impact of producing greenhouse gases. The NASA Glenn Research Center has been working to develop revolutionary technologies to minimize environmentally harmful engine emissions, such as nitrogen oxides, carbon dioxide, aerosols, and particulates. The two objectives of UEET are (1) to develop technologies to reduce nitrogen oxide (NOx) emissions by 70 percent below 1996 ICAO regulations and (2) to decrease carbon dioxide emissions (CO2) by dramatically increasing performance and efficiency. High temperature engine materials, ultra-low-NOx combustor designs, efficient, highly loaded turbomachinery, and propulsion-airframe integration analysis are technologies being developed at Glenn to meet these goals. Technology developed in the previous Advanced Subsonic Technology Program is being put into commercial production for large and regional aircraft to reduce NOx emissions 50 percent below 1996 ICAO regulations for landing and takeoff cycles. UEET will take the technology to the next quantum leap-reducing emissions to 70 percent below the ICAO regulations level. In addition, NASA-developed research will significantly reduce carbon monoxide, unburned hydrocarbons, and corresponding cruise NOx levels for the next generation of aircraft engines. Glenn's UEET research will be useful across the whole range of flight: subsonic, supersonic, and hypersonic. It will improve the subsonic transportation that the public depends on, contribute to supersonic commercial aircraft, improve military aircraft, and contribute to the design of a future hypersonic vehicle. These technologies are contributing to a better quality of life on Earth.

Shaw, Robert J.↗
DOE OSTI2023

High-pressure CO 2 dissociation with nanosecond pulsed discharges

Herein we investigate the conversion of CO 2 into CO and O 2 with nanosecond repetitively pulsed (NRP) discharges in a high-pressure batch reactor. Stable discharges are obtained at up to 12 bar. By-products are measured with gas chromatography. The energy efficiency is determined for a range of processing times, pulse energy, and fill pressures. It is only weakly sensitive to the plasma operating parameters, i.e the extent of CO 2 conversion is almost linearly-dependent on the specific energy invested. A conversion rate as high as 14% is achieved with an energy efficiency of 23%. For long processing times, saturation in the yield and a drop in efficiency are observed, due to the increasing role of three-body recombination reactions, as described by zero-dimensional detailed kinetic modeling. The modeling reveals the presence of three-stage kinetics between NRP pulses, controlled by electron-impact CO 2 dissociation, vibrational relaxation, and neutral elementary kinetics. Transport effects are shown to be important for CO 2 conversion at high pressures. For fill pressures beyond 10 bar, CO 2 may locally transit into supercritical states. The supercritical plasma kinetics may bypass atomic oxygen pathways and directly convert CO 2 into O 2 . This work provides a detailed analysis of plasma-based high-pressure CO 2 conversion, which is of great relevance to future large-scale sustainable carbon capture, utilization, and storage.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2011

A Contemporary Analysis of the O'Neill-Glaser Model for Space-Based Solar Power and Habitat Construction

In 1975 Gerard O Neill published in the journal Science a model for the construction of solar power satellites. He found that the solar power satellites suggested by Peter Glaser would be too massive to launch economically from Earth, but could be financially viable if the workforce was permanently located in free space habitats and if lunar and asteroid materials were used for construction. All new worldwide electrical generating capacity could be then achieved by solar power satellites. The project would financially break even in about 20 years after which it would generate substantial income selling power below fossil fuel prices. Two NASA / Stanford University led studies at Ames Research center during the summers of 1974 and 1976 found the concept technically sound and developed a detailed financial parametric model. Although the project was not undertaken when suggested in the 1970s, several contemporary issues make pursuing the O Neill -- Glaser concept more compelling today. First, our analysis suggests that if in the first ten years of construction that small habitats (compared to the large vista habitats envisioned by O Neill) supporting approximately 300 people were utilized, development costs of the program and the time for financial break even could be substantially improved. Second, the contemporary consensus is developing that carbon free energy is required to mitigate global climate change. It is estimated that 300 GW of new carbon free energy would be necessary per year to stabilize global atmospheric carbon. This is about 4 times greater energy demand than was considered by the O Neill Glaser model. Our analysis suggests that after the initial investments in lunar mining and space manufacturing and transportation, that the profit margin for producing space solar power is very high (even when selling power below fossil fuel prices). We have investigated the financial scaling of ground launched versus space derived space solar power satellites. We find that for the carbon mitigation case even modernized ground launched space solar power satellites are not financially viable. For space derived solar power satellites, however, the increased demand makes them break even substantially sooner and yield much higher profit. Third, current awareness is increasing about the dangers of humanity remaining a single planet species. Our technological power has been increasing relative to the size of the planet Earth. Since the middle of the 20th century our technological power has grown large relative to our planet's size. This presents a very real potential for human self-extinction. We argue that the potential for human self-extinction is increasing with time in proportion to the exponential growth of our technological power making self-extinction likely within this century if humanity remains a single planet species. The O Neill model of multiple independent free space habitats, it is argued, can protect humanity from extinction in the same way that portfolio diversification protects ones assets from total loss. We show that about 1 million people for the electricity only case, and about 1 billion people for the carbon mitigation case, can be provided with permanent space habitats and transportation from Earth in 30 years and can be funded by the space derived solar power satellite program. 1.2 Scope of this Chapter The goal of this chapter is to illustrate the power and importance of the O'Neill-Glaser concept in the context of human survival and maintaining a healthy planet Earth. We argue that at this point in human history our technological power is too dangerous to our selves and our home planet for us not to expand into space. We show by the models presented in the chapter that the imminent dangers of global warming and human self-extinction mandate that humanity move aggressively into the solar system in this generation. We show that the production of solar power satellites using space resources and with a work foe living in space provides a viable financial model to mitigate CO2 preventing the worst global warming scenarios, and safeguards humanity against self-extinction by providing hundreds of habitats and a billion people living in space within about 35 years. To accomplish this goal we need only consider the classic O'Neill-Glaser model which was parameterized for 1970's technological projections. Only habitat size optimization for the first ten years of production is added. This is a conservative approach since the innovations of the last 30 years will make the financial projections more favorable. However, the classic O'Neill-Glaser model represented a broad technological consensus. The model is well documented in the references and our calculations can be easily reproduced In this chapter the economics of the O Neill - Glaser model is compared with models that rely exclusively on Earth launched materials. Although many studies of Earth launched Solar Power Satellites have been made, we found that the NASA "Fresh Look Study" was the most comprehensive and well documented. It also provided one of the most optimistic Earth launch financial projections. We thus chose it for comparison purposes.

Curreri, Peter A.↗
DOE OSTI2023

Oxygen priming induced by elevated CO 2 reduces carbon accumulation and methane emissions in coastal wetlands

Warming temperatures and elevated carbon dioxide (CO 2 ) are inextricably linked global change phenomena, but are rarely manipulated together in field experiments. As a result, ecosystem-level responses to these interacting facets of global change remain poorly understood. In 2017, we started an experiment in a coastal wetland that crosses warming and elevated CO 2 , to better understand how the interactions of these factors affect the plants, biogeochemistry, and overall survival of these ecosystems. However, contrary to our expectations, when elevated CO 2 is combined with warming, the wetland accumulated less carbon, making it more vulnerable to sea-level rise. This was due to the plants transporting more oxygen into the soil, which stimulated aerobic decomposition. At the same time, the increased supply of oxygen reduced net methane (CH 4 ) emissions from the system, even though warming alone substantially increased CH 4 emission. Together, these results demonstrate that ecosystem responses to interacting facets of global change may be mediated by plant traits that regulate the soil environment. Thus, plant responses are critical for predicting future ecosystem survival and climate feedbacks.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1991

Elements of radiative interactions in gaseous systems

Basic formulations, analyses, and numerical procedures are presented to study radiative interactions in gray as well as nongray gases under different physical and flow conditions. After preliminary fluid-dynamical considerations, essential governing equations for radiative transport are presented that are applicable under local and nonlocal thermodynamic equilibrium conditions. Auxiliary relations for relaxation times and spectral absorption model are also provided. For specific applications, several simple gaseous systems are analyzed. The first system considered consists of a gas bounded by two parallel plates having the same temperature. For this system, both vibrational nonequilibrium effects and radiation conduction interactions are studied. The second system consists of fully developed laminar flow and heat transfer in a parallel plate duct under the boundary condition of a uniform surface heat flux. For this system, effects of gray surface emittance are studied. With the single exception of a circular geometry, the third system is identical to the second system. Here, the influence of nongray walls is also studied, and a correlation between the parallel plates and circular tube results is presented. The particular gases selected are CO, CO2, H2O, CH4, N2O, NH3, OH, and NO. The temperature and pressure range considered are 300 to 2000 K, and 0.1 to 100 atmosphere, respectively. Illustrative results obtained for different cases are discussed and some specific conclusions are provided.

Tiwari, Surendra N.↗
DOE OSTI2022

Technoeconomic Analysis of Infrastructure Buildout Scenarios

The success of CCUS deployment in the southeast will depend on the optimized pipeline network from CO 2 point sources to geologic sinks for CO 2 storage. An optimal pipeline framework will reduce both environmental impacts and pipeline building cost. However, finding an optimal pipeline/transport infrastructure design is a non-trivial task and requires simultaneous usage of large volumes of data, computational resources, and a state-of-the-art simulator. Such a transport infrastructure model must consider point sources for CO 2 capture and associated volumes, sinks for CO 2 storage, and transportation from source to sink via pipeline networks. These considerations must be addressed simultaneously and systemically in an optimization process, in which a defined objective function (i.e., capital, variable CO 2 capture, transport, and storage cost function) is required to be minimized with the consideration of practical constraints (e.g., CO 2 flow through pipelines is less than the maximum capacity). Although optimization has been widely used in subsurface resources production and CO 2 storage, its application in large scale CCUS infrastructure design is rarely reported in the literature. SimCCS, developed by Los Alamos National Laboratory, is an open-source CCUS pipeline infrastructure design toolset that facilitates the optimization of pipeline infrastructure networks.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS2004

Fire Suppression in Low Gravity Using a Cup Burner

Longer duration missions to the moon, to Mars, and on the International Space Station increase the likelihood of accidental fires. The goal of the present investigation is to: (1) understand the physical and chemical processes of fire suppression in various gravity and O2 levels simulating spacecraft, Mars, and moon missions; (2) provide rigorous testing of numerical models, which include detailed combustion-suppression chemistry and radiation sub-models; and (3) provide basic research results useful for advances in space fire safety technology, including new fire-extinguishing agents and approaches.The structure and extinguishment of enclosed, laminar, methane-air co-flow diffusion flames formed on a cup burner have been studied experimentally and numerically using various fire-extinguishing agents (CO2, N2, He, Ar, CF3H, and Fe(CO)5). The experiments involve both 1g laboratory testing and low-g testing (in drop towers and the KC-135 aircraft). The computation uses a direct numerical simulation with detailed chemistry and radiative heat-loss models. An agent was introduced into a low-speed coflowing oxidizing stream until extinguishment occurred under a fixed minimal fuel velocity, and thus, the extinguishing agent concentrations were determined. The extinguishment of cup-burner flames, which resemble real fires, occurred via a blowoff process (in which the flame base drifted downstream) rather than the global extinction phenomenon typical of counterflow diffusion flames. The computation revealed that the peak reactivity spot (the reaction kernel) formed in the flame base was responsible for attachment and blowoff of the trailing diffusion flame. Furthermore, the buoyancy-induced flame flickering in 1g and thermal and transport properties of the agents affected the flame extinguishment limits.

Takahashi, Fumiaki↗
NASA NTRS2004

Fire Suppression in Low Gravity Using a Cup Burner

Longer duration missions to the moon, to Mars, and on the International Space Station increase the likelihood of accidental fires. The goal of the present investigation is to: (1) understand the physical and chemical processes of fire suppression in various gravity and O2 levels simulating spacecraft, Mars, and moon missions; (2) provide rigorous testing of numerical models, which include detailed combustion suppression chemistry and radiation sub-models; and (3) provide basic research results useful for advances in space fire safety technology, including new fire-extinguishing agents and approaches. The structure and extinguishment of enclosed, laminar, methane-air co-flow diffusion flames formed on a cup burner have been studied experimentally and numerically using various fire-extinguishing agents (CO2, N2, He, Ar, CF3H, and Fe(CO)5). The experiments involve both 1g laboratory testing and low-g testing (in drop towers and the KC-135 aircraft). The computation uses a direct numerical simulation with detailed chemistry and radiative heat-loss models. An agent was introduced into a low-speed coflowing oxidizing stream until extinguishment occurred under a fixed minimal fuel velocity, and thus, the extinguishing agent concentrations were determined. The extinguishment of cup-burner flames, which resemble real fires, occurred via a blowoff process (in which the flame base drifted downstream) rather than the global extinction phenomenon typical of counterflow diffusion flames. The computation revealed that the peak reactivity spot (the reaction kernel) formed in the flame base was responsible for attachment and blowoff of the trailing diffusion flame. Furthermore, the buoyancy-induced flame flickering in 1g and thermal and transport properties of the agents affected the flame extinguishment limits.

Takahashi, Fumiaki↗
DOE OSTI2022

Membrane‐electrode assembly design parameters for optimal CO 2 reduction

Commercial-scale generation of carbon-containing chemicals and fuels by means of electrochemical CO 2 reduction (CO 2 R) requires electrolyzers operating at high current densities and product selectivities. Membrane-electrode assemblies (MEAs) have been shown to be suitable for this purpose. In such devices, the cathode catalyst layer controls both the rate of CO 2 R and the distribution of products. In this study, we investigate how the ionomer-to-catalyst ratio (I:Cat), catalyst loading, and catalyst-layer thickness influence the performance of a cathode catalyst layer containing Ag nanoparticles supported on carbon. In this paper, we explore how these parameters affect the cell performance and establish the role of the exchange solution (water vs. CsHCO 3 ) behind the anode catalyst layer in cell performance. We show that a high total current density is best achieved using an I:Cat ratio of 3 at a Ag loading of 0.01–0.1 mg Ag /cm 2 and with a 1.0 M solution of CsHCO 3 circulated behind the anode catalyst layer. For these conditions, the optimal CO partial current density depends on the voltage applied to the MEA. The work also reveals that the performance of the cathode catalyst layer is limited by a combination of the electrochemically active surface area and the degree to which mass transfer of CO 2 to the surface of the Ag nanoparticles and the transport of OH – anions away from it limit the overall catalyst activity. Hydration of the ionomer in the cathode catalyst layer is found not to be an issue when using an exchange solution. The insights gained allowed for a Ag CO 2 R MEA that operates between 200 mA/cm 2 and 1 A/cm 2 with CO faradaic efficiencies of 78–91%, and the findings and understanding gained herein should be applicable to a broad range of CO 2 R MEA-based devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2009

NASA Tech Briefs, May 2009

Topics covered include: Valve-"Health"-Monitoring System; Microstrip Antenna for Remote Sensing of Soil Moisture and Sea Surface Salinity; Biomedical Wireless Ambulatory Crew Monitor; Wireless Avionics Packet to Support Fault Tolerance for Flight Applications; Aerobot Autonomy Architecture; Submillimeter Confocal Imaging Active Module; Traveling-Wave Maser for 32 GHz; System Synchronizes Recordings from Separated Video Cameras; Piecewise-Planar Parabolic Reflectarray Antenna; Reducing Interference in ATC Voice Communication; EOS MLS Level 1B Data Processing, Version 2.2; Auto-Generated Semantic Processing Services; Geospatial Authentication; Maneuver Automation Software; Event Driven Messaging with Role-Based Subscriptions; Estimating Relative Positions of Outer-Space Structures; Fabricating PFPE Membranes for Capillary Electrophoresis; Linear Actuator Has Long Stroke and High Resolution; Installing a Test Tap on a Metal Battery Case; Fabricating PFPE Membranes for Microfluidic Valves and Pumps; Room-Temperature-Cured Copolymers for Lithium Battery Gel Electrolytes; Catalysts for Efficient Production of Carbon Nanotubes; Amorphous Silk Fibroin Membranes for Separation of CO2; "Zero-Mass" Noninvasive Pressure Transducers; Radial-Electric-Field Piezoelectric Diaphragm Pumps; Ejector-Enhanced, Pulsed, Pressure-Gain Combustor; Suppressing Ghost Diffraction in E-Beam-Written Gratings; Target-Tracking Camera for a Metrology System; Polarimetric Imaging using Two Photoelastic Modulators; Miniature Wide-Angle Lens for Small-Pixel Electronic Camera; Modal Filters for Infrared Interferometry; Mo(3)Sb(7-x)Te(x) for Thermoelectric Power Generation; Two-Dimensional Quantum Model of a Nanotransistor; Scanning Miniature Microscopes without Lenses; Manipulating Neutral Atoms in Chip-Based Magnetic Traps; Expansion Compression Contacts for Thermoelectric Legs; Processing Electromyographic Signals to Recognize Words; Physical Principle for Generation of Randomness; DSN Beowulf Cluster-Based VLBI Correlator; Hybrid NN/SVM Computational System for Optimizing Designs; Criteria for Modeling in LES of Multicomponent Fuel Flow; Computerized Machine for Cutting Space Shuttle Thermal Tiles; Orbiting Depot and Reusable Lander for Lunar Transportation; FPGA-Based Networked Phasemeter for a Heterodyne Interferometer; Aquarius Digital Processing Unit; Three-Dimensional Optical Coherence Tomography; Benchtop Antigen Detection Technique using Nanofiltration and Fluorescent Dyes; Isolation of Precursor Cells from Waste Solid Fat Tissue; Identification of Bacteria and Determination of Biological Indicators; Further Development of Scaffolds for Regeneration of Nerves; Chemically Assisted Photocatalytic Oxidation System; Use of Atomic Oxygen for Increased Water Contact Angles of Various Polymers for Biomedical Applications; Crashworthy Seats Would Afford Superior Protection; Open-Access, Low-Magnetic-Field MRI System for Lung Research; Microfluidic Mixing Technology for a Universal Health Sensor; Microfluidic Extraction of Biomarkers using Water as Solvent; Microwell Arrays for Studying Many Individual Cells; Droplet-Based Production of Liposomes; and Identifying and Inactivating Bacterial Spores

Source record↗
DOE OSTI2025

Electrolyzers in focus: advances in CO 2 electrolyzer designs

Electrochemical CO 2 reduction (ECR) remains a viable method to reintegrate anthropogenic CO 2 into current energy infrastructures through its conversion into commodity chemicals. To facilitate the integration of ECR, electrochemical devices called electrolyzers must be implemented to overcome the inherent limitations that exist in current ECR experiments, namely kinetics and mass transport. In this review, we outline the current and advancing designs in ECR electrolyzers, with a focus on the following five electrochemical devices: membrane electrode assemblies (MEA), flow cell (FC), rotating disk electrode (RDE), rotating ring-disk electrode (RRDE), and rotating cylinder electrode (RCE). We highlight the tunable components of each electrolyzer with a forward outlook on the optimization and relevance of electrolyzer designs in upcoming ECR applications.

CO2 reduction↗
DOE OSTI2024

Impact of supercritical carbon dioxide on the frictional strength of and the transport through thin cracks in shale

Understanding the mechanical and transport behavior of thin (i.e. small aperture) cracks slipping under supercritical carbon dioxide (sc-CO 2 ) conditions is essential to evaluate the integrity of sealing formations with buoyant sc-CO 2 below and the success of waterless fracturing. The two major items of interest in this work are frictional strength and permeability change of the crack. We used a triaxial cell that permits in situ visualization to conduct and monitor slippage along the faces of narrow cracks subjected to triaxial stresses. Such cracks are analogs to small geological faults. We tested carbonate-rich, 1-inch diameter Wolfcamp shale samples that are saw cut 30° to vertical to create a thin crack. Friction coefficients ranged from about 0.6 to 0.8 consistent with expectations for brittle rocks. The sc-CO 2 generally did not alter friction coefficient over the time scale of experiments. From a transport perspective, saturating cracks with sc-CO 2 substantially decreased permeability of the crack by 26%–52%, while slip resulted in a variety of permeability responses. Overall, the combined impact of sc-CO 2 saturation and slip reduced fault permeability for all tests. Our observations support the notion that the sealing capacity of some caprocks improves when saturated with sc-CO 2 and that some slip of small fractures is not necessarily detrimental to caprock integrity.

58 GEOSCIENCES↗
NASA NTRS1990

Climate and atmospheric modeling studies. Climate applications of Earth and planetary observations. Chemistry of Earth and environment

The research conducted during the past year in the climate and atmospheric modeling programs concentrated on the development of appropriate atmospheric and upper ocean models, and preliminary applications of these models. Principal models are a one-dimensional radiative-convective model, a three-dimensional global climate model, and an upper ocean model. Principal applications have been the study of the impact of CO2, aerosols and the solar 'constant' on climate. Progress was made in the 3-D model development towards physically realistic treatment of these processes. In particular, a map of soil classifications on 1 degree x 1 degree resolution has been digitized, and soil properties have been assigned to each soil type. Using this information about soil properties, a method was developed to simulate the hydraulic behavior of soils of the world. This improved treatment of soil hydrology, together with the seasonally varying vegetation cover, will provide a more realistic study of the role of the terrestrial biota in climate change. A new version of the climate model was created which follows the isotopes of water and sources of water (or colored water) throughout the planet. Each isotope or colored water source is a fraction of the climate model's water. It participates in condensation and surface evaporation at different fractionation rates and is transported by the dynamics. A major benefit of this project has been to improve the programming techniques and physical simulation of the water vapor budget of the climate model.

Source record↗
NASA NTRS2012

The Influence of Ozone Precursor Emissions from Four World Regions on Tropospheric Composition and Radiative Climate Forcing

Ozone (O3) precursor emissions influence regional and global climate and air quality through changes in tropospheric O3 and oxidants, which also influence methane (CH4) and sulfate aerosols (SO4 (sup 2-)). We examine changes in the tropospheric composition of O3, CH4, SO4 (sup 2-) and global net radiative forcing (RF) for 20% reductions in global CH4 burden and in anthropogenic O3 precursor emissions (NOx, NMVOC, and CO) from four regions (East Asia, Europe and Northern Africa, North America, and South Asia) using the Task Force on Hemispheric Transport of Air Pollution Source-Receptor global chemical transport model (CTM) simulations, assessing uncertainty (mean plus or minus 1 standard deviation) across multiple CTMs. We evaluate steady state O3 responses, including long-term feedbacks via CH4. With a radiative transfer model that includes greenhouse gases and the aerosol direct effect, we find that regional NOx reductions produce global, annually averaged positive net RFs (0.2 plus or minus 0.6 to 1.7 2 mWm(sup -2)/Tg N yr(sup -1), with some variation among models. Negative net RFs result from reductions in global CH4 (-162.6 plus or minus 2 mWm(sup -2) for a change from 1760 to 1408 ppbv CH4) and regional NMVOC (-0.4 plus or minus 0.2 to 0.7 plus or minus 0.2 mWm(sup -2)/Tg C yr(sup -1) and CO emissions (-0.13 plus or minus 0.02 to -0.15 plus or minus 0.02 mWm(sup-2)/Tg CO yr(sup-1). Including the effect of O3 on CO2 uptake by vegetation likely makes these net RFs more negative by -1.9 to- 5.2 mWm(sup -2)/Tg N yr(sup -1), -0.2 to -0.7 mWm(sup -2)/Tg C yr(sup -1), and -0.02 to -0.05 mWm(sup -2)/ Tg CO yr(sup -1). Net RF impacts reflect the distribution of concentration changes, where RF is affected locally by changes in SO4 (sup -2), regionally to hemispherically by O3, and globally by CH4. Global annual average SO4 2 responses to oxidant changes range from 0.4 plus or minus 2.6 to -1.9 plus or minus 1.3 Gg for NOx reductions, 0.1 plus or minus 1.2 to -0.9 plus or minus 0.8 Gg for NMVOC reductions, and -0.09 plus or minus 0.5 to -0.9 plus or minus 0.8 Gg for CO reductions, suggesting additional research is needed. The 100-year global warming potentials (GWP(sub 100)) are calculated for the global CH4 reduction (20.9 plus or minus 3.7 without stratospheric O3 or water vapor, 24.2 plus or minus 4.2 including those components), and for the regional NOx, NMVOC, and CO reductions (18.7 plus or minus 25.9 to 1.9 plus or minus 8.7 for NOx, 4.8 plus or minus 1.7 to 8.3 plus or minus 1.9 for NMVOC, and 1.5 plus or minus 0.4 to 1.7 plus or minus 0.5 for CO). Variation in GWP(sub 100) for NOx, NMVOC, and CO suggests that regionally specific GWPs may be necessary and could support the inclusion of O3 precursors in future policies that address air quality and climate change simultaneously. Both global net RF and GWP100 are more sensitive to NOx and NMVOC reductions from South Asia than the other three regions.

ozone↗
DOE OSTI2024

2023 Billion-Ton Report: An Assessment of U.S. Renewable Carbon Resources - Microalgae

Microalgae is a unique biomass resource that does not need to compete for land and water with other biomass feedstocks because it can be cultivated on low-quality unencumbered land using noncompetitive water types including saline and wastewater. It is included as a complementary resource alongside other biomass feedstocks reported in this study, albeit at higher biomass production costs reflective of more capital-intensive farming operations than typical for terrestrial biomass. Higher biomass costs can be offset by the potential to produce value-added coproducts unique to compositional constituents of microalgae. Relative to the 2016 Billion-Ton Report, this chapter reflects the latest analysis from the 2022 Algae Harmonization Update, which uses the latest parameterized and high-performing saline algal strain, second-generation carbon capture of point-source waste CO 2 , and high-pressure pipeline transport resolved to specific point-source types, saline water sourcing up to 40,000 mg/L total dissolved solids for source and makeup water salinity, blowdown water treatment and recycle, and brine disposal handling. National-scale algal biomass availability potential was calculated at 152 million tons/yr ash-free dry weight (AFDW) (191 million tons/yr dry weight) at an average biomass

09 BIOMASS FUELS↗
DOE OSTI2021

Guest-Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH4, CO2 and H2S in (H2O)20 Cages

We present benchmark binding energies of naturally occurring gas molecules CH4, CO2, and H2S in the small cage, namely the pentagonal dodecahedron (512) (H2O)20, which is one of the constituent cages of the 3 major lattices (structures I, II and H) of clathrate hydrates. These weak interactions require higher levels of electron correlation and converge slowly with increasing basis set to the Complete Basis Set (CBS) limit, necessitating the use of large basis sets up to the augcc- pV5Z and subsequent correction for Basis Set Superposition Error (BSSE). For the host hollow (H2O)20 cages we have identified a most stable isomer with binding energy of -200.8 ± 2.1 kcal/mol at the CCSD(T)/CBS limit (-199.2 ± 0.5 kcal/mol at the MP2/CBS limit). Additionally, we report converged second order Moller-Plesset (MP2) CBS binding energies for the encapsulation of guests in the (H2O)20 cage of -4.3 ± 0.1 for CH4@(H2O)20, -6.6 ± 0.1 for CO2@(H2O)20 and -8.5 ± 0.1 kcal/mol for H2S@(H2O)20, respectively. For CH4@(H2O)20, exhibiting the weakest encapsulation affinity among the three, we report CCSD(T)/aug-cc-pVTZ binding energies and, based on them, a CCSD(T)/CBS estimate of -4.75 ± 0.1 kcal/mol. To the best of our knowledge, the CCSD(T)/aug-cc-pVTZ calculation for CH4@(H2O)20 is the largest one reported to date (168 valence electrons, 1978 basis functions and the correlation of 84 doubly occupied and 1873 virtual orbitals) and required a scalable implementation of the (T) module on 6144 nodes (350208 cores) of the “Cori” supercomputer at the National Energy Research Supercomputing Center (NERSC) for a total execution time of 195 minutes (for the (T) part). These efficient scalable implementations of highly correlated methods offer the capability to obtain long-lasting benchmarks of intermolecular interactions in complex systems. They also provide a path towards parametrizing classical potentials needed to study the dynamical and transport properties in these complex systems as well as assess the accuracy of lower scaling electronic structure methods such as Density Functional Theory (DFT) and MP2 including its spin-biased variants.

Heindel, Joseph↗