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At least 199 records · Page 11

Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion (Final Scientific/Technical Report)

This report summarizes the technical accomplishments of the four-year research project “Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion” (Award No. DE-FE0032092), conducted at Howard University and the University of Houston (subawardee) from September 2021 to August 2025. The project successfully achieved all four major objectives: 1. 3D Structural Characterization – Developed 3D optical imaging and mechanical sectioning methods to characterize catalyst distribution and support morphology in nickel foam substrates. Successfully reconstructed 3D geometries and imported them into COMSOL Multiphysics for electromagnetic simulations. 2. EM Hotspot Simulation – Created all-frequency stable electromagnetic formulations and 3D nodal discontinuous Galerkin (NDG) methods for coupled electromagnetic-thermal-fluid problems in multiscale catalytic media. Demonstrated stable solutions from DC to microwave frequencies. 3. Multiphysics Coupling – Developed multiscale simulation methods coupling FEM electromagnetic solvers with thermal transport equations. Reactive molecular dynamics (ReaxFF MD) simulations were performed to investigate catalytic reaction mechanisms at the atomistic level. Demonstrated electromagnetic-thermal co-simulation capabilities for porous catalyst structures. 4. System Optimization – Designed and optimized EM-assisted catalytic systems using nickel foam and carbon foam structures, demonstrating significant temperature increases due to microwave heating. Observed and characterized plasma generation in carbon fiber catalysts. Investigated multiple reaction chamber geometries for improved microwave energy deposition. The project produced significant scientific contributions including 15+ peer-reviewed publications, trained multiple Ph.D. students and undergraduate researchers, and advanced the understanding of microwave-assisted hydrogen production from fossil fuels.

08 HYDROGEN↗

Single-column cryogenic air separation: enabling efficient oxygen production with rapid startup and low capital costs—application to low-carbon fossil-fuel plants

The rapid integration of intermittent renewable sources into the electricity grid is driving the need for more flexible, low-carbon fossil-fuel plants with lower capital costs. This then drives the need to improve the cryogenic air separation unit (ASU). To address this changing landscape, we explore a Praxair single-column ASU (PSC-ASU) design with the goal of reducing costs and improving flexibility, compared to a conventional double-column ASU. The PSC-ASU incorporates partial air condensation and air pre-separation in the bottom reboiler with a phase separator as well as N2-enriched vapor condensation in the upper reboiler to decrease energy consumption, as compared to Linde's single-column ASU. All three of the above-mentioned ASU designs are simulated in Aspen Plus and analyzed. An economic analysis is applied to evaluate the relative cost savings of the PSC-ASU compared to the double-column ASU. Results suggest that the specific energy consumption of the PSC-ASU is significantly lower than that of Linde's single-column ASU due to a drastically improved oxygen recovery rate. Although this improved oxygen recovery rate is still lower than that of the double-column ASU, the required pressure ratio of the main air compressor is 21% lower than that of the double-column ASU. As a result, the specific energy consumption of the PSC-ASU is only 1.9% greater than that of the double-column ASU for producing 95.1 mol% O2. However, the PSC-ASU reduces the hourly capital cost by 19% due to the elimination of a high-pressure column. This would effectively decrease the total hourly cost of the ASU, and thus the total hourly cost of low-carbon, fossil-fuel power plants that require oxygen.

Cheng, Mao↗

Rapidly ramp cryogenic air separation unit without loss of O2 product purity—application for low-carbon fossil-fuel plants

The rapid integration of intermittent renewable sources into the electricity grid is driving the need for low-carbon, fossil-fuel power plant capable of rapid ramping. Therefore, a cryogenic air separation unit (ASU) as part of low-carbon, fossil-fuel power plant should be capable of rapid ramping. However, highly integrated and nonlinear processes of the ASU would significantly restrict this rapid ramping. To overcome this fundamental issue, we study the basic dynamic process of a state-of-the-art double-column ASU. A flow-driven dynamic model was established in Aspen Plus Dynamics, assuming perfect flow controls, to capture the basic dynamics of ramping ASU. We find the vapor-liquid counter-current flow structure in the low-pressure column is critical to the air separation when rapidly ramping the ASU. This flow structure is established based on a complicated heat integration process. It is simplified as an apparent counter-current heat transfer process in this work, which greatly reduces the complexity for studying the dynamics of ASU. For keeping this basic flow structure, the heat integration is maintained as its heat duty follows the ASU load, through several basic feed-forward and feed-back controllers on the critical stream flowrates. Moreover, we find a fundamental issue of mismatched dynamics in the low-pressure column, resulting in a significant loss of O2 product purity when rapidly ramping down the ASU and an obvious fluctuation of O2 product purity. Based on these explorations, we propose a basic control method for rapidly ramping the ASU without loss of O2 product purity. Results show the ASU basic dynamic process successfully ramps at a rate up to 10%/min (40-100% load) while maintaining the O2 product purity within 95.2-95.6 mol%.

Cheng, Mao↗

Global, Regional, and National Fossil-Fuel CO2 Emissions (1751 - 2009) (V. 2012)

Publications containing historical energy statistics make it possible to estimate fossil fuel CO2 emissions back to 1751. Etemad et al. (1991) published a summary compilation that tabulates coal, brown coal, peat, and crude oil production by nation and year. Footnotes in the Etemad et al.(1991) publication extend the energy statistics time series back to 1751. Summary compilations of fossil fuel trade were published by Mitchell (1983, 1992, 1993, 1995). Mitchell's work tabulates solid and liquid fuel imports and exports by nation and year. These pre-1950 production and trade data were digitized and CO2 emission calculations were made following the procedures discussed in Marland and Rotty (1984) and Boden et al. (1995). Further details on the contents and processing of the historical energy statistics are provided in Andres et al. (1999). The 1950 to present CO2 emission estimates are derived primarily from energy statistics published by the United Nations (2012), using the methods of Marland and Rotty (1984). The energy statistics were compiled primarily from annual questionnaires distributed by the U.N. Statistical Office and supplemented by official national statistical publications. As stated in the introduction of the Statistical Yearbook, "in a few cases, official sources are supplemented by other sources and estimates, where these have been subjected to professional scrutiny and debate and are consistent with other independent sources." Data from the U.S. Department of Interior's Geological Survey (USGS 2011) were used to estimate CO2 emitted during cement production. Values for emissions from gas flaring were derived primarily from U.N. data but were supplemented with data from the U.S. Department of Energy's Energy Information Administration (1994), Rotty (1974), and data provided by G. Marland. Greater details about these methods are provided in Marland and Rotty (1984), Boden et al. (1995), and Andres et al. (1999).

54 ENVIRONMENTAL SCIENCES↗

Global, Regional, and National Fossil-Fuel CO2 Emissions (1751 - 2010) (V. 2013)

Publications containing historical energy statistics make it possible to estimate fossil fuel CO2 emissions back to 1751. Etemad et al. (1991) published a summary compilation that tabulates coal, brown coal, peat, and crude oil production by nation and year. Footnotes in the Etemad et al.(1991) publication extend the energy statistics time series back to 1751. Summary compilations of fossil fuel trade were published by Mitchell (1983, 1992, 1993, 1995). Mitchell's work tabulates solid and liquid fuel imports and exports by nation and year. These pre-1950 production and trade data were digitized and CO2 emission calculations were made following the procedures discussed in Marland and Rotty (1984) and Boden et al. (1995). Further details on the contents and processing of the historical energy statistics are provided in Andres et al. (1999). The 1950 to present CO2 emission estimates are derived primarily from energy statistics published by the United Nations (2013), using the methods of Marland and Rotty (1984). The energy statistics were compiled primarily from annual questionnaires distributed by the U.N. Statistical Office and supplemented by official national statistical publications. As stated in the introduction of the Statistical Yearbook, "in a few cases, official sources are supplemented by other sources and estimates, where these have been subjected to professional scrutiny and debate and are consistent with other independent sources." Data from the U.S. Department of Interior's Geological Survey (USGS 2012) were used to estimate CO2 emitted during cement production. Values for emissions from gas flaring were derived primarily from U.N. data but were supplemented with data from the U.S. Department of Energy's Energy Information Administration (1994), Rotty (1974), and data provided by G. Marland. Greater details about these methods are provided in Marland and Rotty (1984), Boden et al. (1995), and Andres et al. (1999).

54 ENVIRONMENTAL SCIENCES↗

Global, Regional, and National Fossil-Fuel CO2 Emissions (1751 - 2011) (V. 2015)

Publications containing historical energy statistics make it possible to estimate fossil fuel CO2 emissions back to 1751. Etemad et al. (1991) published a summary compilation that tabulates coal, brown coal, peat, and crude oil production by nation and year. Footnotes in the Etemad et al.(1991) publication extend the energy statistics time series back to 1751. Summary compilations of fossil fuel trade were published by Mitchell (1983, 1992, 1993, 1995). Mitchell's work tabulates solid and liquid fuel imports and exports by nation and year. These pre-1950 production and trade data were digitized and CO2 emission calculations were made following the procedures discussed in Marland and Rotty (1984) and Boden et al. (1995). Further details on the contents and processing of the historical energy statistics are provided in Andres et al. (1999). The 1950 to present CO2 emission estimates are derived primarily from energy statistics published by the United Nations (2014), using the methods of Marland and Rotty (1984). The energy statistics were compiled primarily from annual questionnaires distributed by the U.N. Statistical Office and supplemented by official national statistical publications. As stated in the introduction of the Statistical Yearbook, "in a few cases, official sources are supplemented by other sources and estimates, where these have been subjected to professional scrutiny and debate and are consistent with other independent sources." Data from the U.S. Department of Interior's Geological Survey (USGS 2014) were used to estimate CO2 emitted during cement production. Values for emissions from gas flaring were derived primarily from U.N. data but were supplemented with data from the U.S. Department of Energy's Energy Information Administration (1994), Rotty (1974), and data provided by G. Marland. Greater details about these methods are provided in Marland and Rotty (1984), Boden et al. (1995), and Andres et al. (1999).

54 ENVIRONMENTAL SCIENCES↗

Global, Regional, and National Fossil-Fuel CO2 Emissions (1751 - 2013) (V. 2016)

Publications containing historical energy statistics make it possible to estimate fossil fuel CO2 emissions back to 1751. Etemad et al. (1991) published a summary compilation that tabulates coal, brown coal, peat, and crude oil production by nation and year. Footnotes in the Etemad et al.(1991) publication extend the energy statistics time series back to 1751. Summary compilations of fossil fuel trade were published by Mitchell (1983, 1992, 1993, 1995). Mitchell's work tabulates solid and liquid fuel imports and exports by nation and year. These pre-1950 production and trade data were digitized and CO2 emission calculations were made following the procedures discussed in Marland and Rotty (1984) and Boden et al. (1995). Further details on the contents and processing of the historical energy statistics are provided in Andres et al. (1999). The 1950 to present CO2 emission estimates are derived primarily from energy statistics published by the United Nations (2016), using the methods of Marland and Rotty (1984). The energy statistics were compiled primarily from annual questionnaires distributed by the U.N. Statistical Office and supplemented by official national statistical publications. As stated in the introduction of the Statistical Yearbook, "in a few cases, official sources are supplemented by other sources and estimates, where these have been subjected to professional scrutiny and debate and are consistent with other independent sources." Data from the U.S. Department of Interior's Geological Survey (USGS 2016) were used to estimate CO2 emitted during cement production. Values for emissions from gas flaring were derived primarily from U.N. data but were supplemented with data from the U.S. Department of Energy's Energy Information Administration (1994), Rotty (1974), and data provided by G. Marland. Greater details about these methods are provided in Marland and Rotty (1984), Boden et al. (1995), and Andres et al. (1999).

54 ENVIRONMENTAL SCIENCES↗

Annual Fossil-Fuel CO2 Emissions: Mass of Emissions Gridded by One Degree Latitude by One Degree Longitude (NDP-058.2011)

The 2011 version of this database presents a time series recording 1° latitude by 1° longitude CO2 emissions in units of million metric tons of carbon per year from anthropogenic sources for 1751-2008. Detailed geographic information on CO2 emissions can be critical in understanding the pattern of the atmospheric and biospheric response to these emissions. Global, regional, and national annual estimates for 1751 through 2008 were published earlier (Boden et al. 2011). Those national, annual CO2 emission estimates were based on statistics about fossil-fuel burning, cement manufacturing and gas flaring in oil fields as well as energy production, consumption, and trade data, using the methods of Marland and Rotty (1984). The national annual estimates were combined with gridded 1° data on political units and 1984 human populations to create the new gridded CO2 emission time series. The same population distribution was used for each of the years as proxy for the emission distribution within each country. The implied assumption for that procedure was that per capita energy use and fuel mixes are uniform over a political unit. The consequence of this first-order procedure is that the spatial changes observed over time are solely due to changes in national energy consumption and nation-based fuel mix. Increases in fossil-fuel CO2 emissions over time are apparent for most areas.

54 ENVIRONMENTAL SCIENCES↗

Annual Fossil-Fuel CO2 Emissions: Mass of Emissions Gridded by One Degree Latitude by One Degree Longitude (NDP-058.2012)

The 2012 version of this database presents a time series recording 1° latitude by 1° longitude CO2 emissions in units of million metric tons of carbon per year from anthropogenic sources for 1751-2009. Detailed geographic information on CO2 emissions can be critical in understanding the pattern of the atmospheric and biospheric response to these emissions. Global, regional, and national annual estimates for 1751 through 2009 were published earlier (Boden et al. 2012). Those national, annual CO2 emission estimates were based on statistics about fossil-fuel burning, cement manufacturing and gas flaring in oil fields as well as energy production, consumption, and trade data, using the methods of Marland and Rotty (1984). The national annual estimates were combined with gridded 1° data on political units and 1984 human populations to create the new gridded CO2 emission time series. The same population distribution was used for each of the years as proxy for the emission distribution within each country. The implied assumption for that procedure was that per capita energy use and fuel mixes are uniform over a political unit. The consequence of this first-order procedure is that the spatial changes observed over time are solely due to changes in national energy consumption and nation-based fuel mix. Increases in fossil-fuel CO2 emissions over time are apparent for most areas.

54 ENVIRONMENTAL SCIENCES↗

Annual Fossil-Fuel CO2 Emissions: Mass of Emissions Gridded by One Degree Latitude by One Degree Longitude (NDP-058.2013)

The 2013 version of this database presents a time series recording 1° latitude by 1° longitude CO2 emissions in units of million metric tons of carbon per year from anthropogenic sources for 1751-2010. Detailed geographic information on CO2 emissions can be critical in understanding the pattern of the atmospheric and biospheric response to these emissions. Global, regional, and national annual estimates for 1751 through 2010 were published earlier (Boden et al. 2013). Those national, annual CO2 emission estimates were based on statistics about fossil-fuel burning, cement manufacturing and gas flaring in oil fields as well as energy production, consumption, and trade data, using the methods of Marland and Rotty (1984). The national annual estimates were combined with gridded 1° data on political units and 1984 human populations to create the new gridded CO2 emission time series. The same population distribution was used for each of the years as proxy for the emission distribution within each country. The implied assumption for that procedure was that per capita energy use and fuel mixes are uniform over a political unit. The consequence of this first-order procedure is that the spatial changes observed over time are solely due to changes in national energy consumption and nation-based fuel mix. Increases in fossil-fuel CO2 emissions over time are apparent for most areas.

54 ENVIRONMENTAL SCIENCES↗

Annual Fossil-Fuel CO2 Emissions: Mass of Emissions Gridded by One Degree Latitude by One Degree Longitude (NDP-058.2015)

The 2015 version of this database presents a time series recording 1° latitude by 1° longitude CO2 emissions in units of million metric tons of carbon per year from anthropogenic sources for 1751-2011. Detailed geographic information on CO2 emissions can be critical in understanding the pattern of the atmospheric and biospheric response to these emissions. Global, regional, and national annual estimates for 1751 through 2011 were published earlier (Boden et al. 2015). Those national, annual CO2 emission estimates were based on statistics about fossil-fuel burning, cement manufacturing and gas flaring in oil fields as well as energy production, consumption, and trade data, using the methods of Marland and Rotty (1984). The national annual estimates were combined with gridded 1° data on political units and 1984 human populations to create the new gridded CO2 emission time series. The same population distribution was used for each of the years as proxy for the emission distribution within each country. The implied assumption for that procedure was that per capita energy use and fuel mixes are uniform over a political unit. The consequence of this first-order procedure is that the spatial changes observed over time are solely due to changes in national energy consumption and nation-based fuel mix. Increases in fossil-fuel CO2 emissions over time are apparent for most areas.

54 ENVIRONMENTAL SCIENCES↗

The Open-source Data Inventory for Anthropogenic CO 2 , version 2016 (ODIAC2016): a global monthly fossil fuel CO 2 gridded emissions data product for tracer transport simulations and surface flux inversions

The Open-source Data Inventory for Anthropogenic CO 2 (ODIAC) is a global high-spatial-resolution gridded emissions data product that distributes carbon dioxide (CO 2 ) emissions from fossil fuel combustion. The emissions spatial distributions are estimated at a 1 × 1 km spatial resolution over land using power plant profiles (emissions intensity and geographical location) and satellite-observed nighttime lights. This work describes the year 2016 version of the ODIAC emissions data product (ODIAC2016) and presents analyses that help guide data users, especially for atmospheric CO 2 tracer transport simulations and flux inversion analysis. Since the original publication in 2011, we have made modifications to our emissions modeling framework in order to deliver a comprehensive global gridded emissions data product. Major changes from the 2011 publication are (1) the use of emissions estimates made by the Carbon Dioxide Information Analysis Center (CDIAC) at the Oak Ridge National Laboratory (ORNL) by fuel type (solid, liquid, gas, cement manufacturing, gas flaring, and international aviation and marine bunkers); (2) the use of multiple spatial emissions proxies by fuel type such as (a) nighttime light data specific to gas flaring and (b) ship/aircraft fleet tracks; and (3) the inclusion of emissions temporal variations. Using global fuel consumption data, we extrapolated the CDIAC emissions estimates for the recent years and produced the ODIAC2016 emissions data product that covers 2000–2015. Our emissions data can be viewed as an extended version of CDIAC gridded emissions data product, which should allow data users to impose global fossil fuel emissions in a more comprehensive manner than the original CDIAC product. Our new emissions modeling framework allows us to produce future versions of the ODIAC emissions data product with a timely update. Such capability has become more significant given the CDIAC/ORNL's shutdown. The ODIAC data product could play an important role in supporting carbon cycle science, especially modeling studies with space-based CO 2 data collected in near real time by ongoing carbon observing missions such as the Japanese Greenhouse gases Observing SATellite (GOSAT), NASA's Orbiting Carbon Observatory-2 (OCO-2), and upcoming future missions. The ODIAC emissions data product including the latest version of the ODIAC emissions data (ODIAC2017, 2000–2016) is distributed from http://db.cger.nies.go.jp/dataset/ODIAC/ with a DOI (https://doi.org/10.17595/20170411.001).

54 ENVIRONMENTAL SCIENCES↗

Comparative evaluation of solar, fission, fusion, and fossil energy resources. Part 5: Conclusions and recomendations

Air pollution resulting from the use of fossil fuels is discussed. Phenomena relating to the emission of CO2 such as the greenhouse effect and multiplier effect are explored. Particulate release is also discussed. The following recommendations are made for the elimination of fossil fuel combustion products in the United States: development of nuclear breeder reactors, use of solar energy systems, exploration of energy alternatives such as geothermal and fusion, and the substitution of coal for gas and oil use.

Williams, J. R.↗

Microbial trace-fossil formation, biogenous, and abiotic weathering in the Antarctic cold desert

In the Antarctic cold desert (Ross Desert), the survival of the cryptoendolithic microorganisms that colonize the near-surface layer of porous sandstone rocks depends on a precarious equilibrium of biological and geological factors. An unfavorable shift of this equilibrium results in death, and this may be followed by formation of trace fossils that preserve the characteristic iron-leaching pattern caused by microbial activity. Similar microbial trace fossils may exist in the geological record. If life ever arose on early Mars, similar processes may have occurred there and left recognizable traces.

Friedmann, E. Imre↗

Search for Martian fossil communities: Science strategies, sediment sites, and sample handling

The strategy for locating and sampling possible fossilized Martian organisms benefits from our experience with fossil microbial ecosystems on Earth. Evidence of early life is typically preserved as stromatolites in carbonates and cherts, and as microfossils in cherts, carbonates and shales. Stromatolites, which are laminated flat or domal structures built by microbial communities, are very likely the oldest and most widespread relics of early life. These communities flourished in supratidal to subtidal coastal benthic environments, wherever sunlight was available and where incoming sediments were insufficient to bury the communities before they became established. A logical site for such communities on Mars might be those areas in an ancient lake bed which were furthest from sediment input, but were still sufficiently shallow to have received sunlight. Therefore, although some sites within Valles Marineris might have contained ponded water, the possibly abundant sediment inputs might have overwhelmed stromatolite-like communities. Localized depressions which acted as catchment basins for ancient branched valley systems might be superior sites. Perhaps such depressions received drainage which, because of the relatively modest water discharges implied for these streams, was relatively low in transported sediment. Multiple streams converging on a single basin might have been able to maintain a shallow water environment for extended periods of time.

Desmarais, David J.↗

Topology of magnetic flux ropes and formation of fossil flux transfer events and boundary layer plasmas

A mechanism for the formation of fossil flux transfer events and the low-level boundary layer within the framework of multiple X-line reconnection is proposed. Attention is given to conditions for which the bulk of magnetic flux in a flux rope of finite extent has a simple magnetic topology, where the four possible connections of magnetic field lines are: IMF to MSP, MSP to IMF, IMF to IMF, and MSP to MSP. For a sufficient relative shift of the X lines, magnetic flux may enter a flux rope from the magnetosphere and exit into the magnetosphere. This process leads to the formation of magnetic flux ropes which contain a considerable amount of magnetosheath plasma on closed magnetospheric field lines. This process is discussed as a possible explanation for the formation of fossil flux transfer events in the magnetosphere and the formation of the low-latitude boundary layer.

Lee, L. C.↗