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At least 199 records · Page 11

Materials Data on AlPH8(CCl2)2 by Materials Project

P(CH4)2AlCl4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight dimethylphosphine molecules and eight AlCl4 clusters. In each AlCl4 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.15–2.17 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on H4C by Materials Project

CH4 is Silicon tetrafluoride structured and crystallizes in the cubic I-43m space group. The structure is zero-dimensional and consists of two methane molecules. C4- is bonded in a tetrahedral geometry to four equivalent H1+ atoms. All C–H bond lengths are 1.10 Å. H1+ is bonded in a single-bond geometry to one C4- atom.

36 MATERIALS SCIENCE↗

Materials Data on H4C(N2O)2 by Materials Project

CH4(N2O)2 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of sixteen 2-nitroguanidine molecules. C4+ is bonded in a trigonal planar geometry to three N1- atoms. There is two shorter (1.33 Å) and one longer (1.37 Å) C–N bond length. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the second N1- site, N1- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N1- atom. The N–N bond length is 1.34 Å. In the fourth N1- site, N1- is bonded in a distorted trigonal planar geometry to one N1- and two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1- atom.

36 MATERIALS SCIENCE↗

AmeriFlux FLUXNET-1F US-Tw1 Twitchell Wetland West Pond

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Tw1 Twitchell Wetland West Pond. This is the FLUXNET version of the carbon flux data for the site US-Tw1 Twitchell Wetland West Pond produced by applying the standard ONEFlux (1F) software. Site Description - The Twitchell Wetland site is a 7.4-acre restored wetland on Twitchell Island, that is managed by the California Department of Water Resources (DWR) and the U.S. Geological Survey (USGS). In the fall of 1997, the site was permanently flooded to a depth of approximately 25 cm. The wetland was almost completely covered by cattails and tules by the third growing season. A flux tower equipped to analyze energy, H2O, CO2, and CH4 fluxes was installed on May 17, 2012.

Valach, Alex↗

AmeriFlux FLUXNET-1F US-ARM ARM Southern Great Plains site- Lamont

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-ARM ARM Southern Great Plains site- Lamont. This is the FLUXNET version of the carbon flux data for the site US-ARM ARM Southern Great Plains site- Lamont produced by applying the standard ONEFlux (1F) software. Site Description - Central facility tower crop field (winter wheat, corn, soy, alfalfa). The site also has continuous measurements of precise mixing ratios of CO2, CH4, CO, N2O, and isotopic ratio of 13CO2. In addition to 4 m system, there are sonic anemometers at 25 m and 60 m.

Biraud, Sebastien↗

AmeriFlux FLUXNET-1F US-Snf Sherman Barn

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Snf Sherman Barn. This is the FLUXNET version of the carbon flux data for the site US-Snf Sherman Barn produced by applying the standard ONEFlux (1F) software. Site Description - The Sherman Barn is pasture site on Sherman Island, that is managed by the California Department of Water Resources (DWR). A flux tower equipped to analyze energy, H2O, CO2, and CH4 fluxes was installed on June, 2018

Kusak, Kuno↗

AmeriFlux FLUXNET-1F US-Myb Mayberry Wetland

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Myb Mayberry Wetland. This is the FLUXNET version of the carbon flux data for the site US-Myb Mayberry Wetland produced by applying the standard ONEFlux (1F) software. Site Description - The Mayberry Wetland site is a 300-acre restored wetland on Sherman Island, north of Mayberry Slough, that is on the property of Mayberry Farms and managed by the California Department of Water Resources and Ducks Unlimited. During Summer 2010, the site was restored from a pepperweed and annual grassland pasture to a wetland through a project managed by Bryan Brock (bpbrock@water.ca.gov). A flux tower equipped to analyze energy, H2O, CO2, and CH4 fluxes was installed on October 14, 2010. At the time of installation, flooding of the site had only recently begun after extensive reconstruction of the wetland bathymetry conducted during the summer. Although some small patches of tules remain within the site, the site is a patchwork of deep and shallow open water with some remaining vegetation. Currently, there is an intention to flood-to-kill the current pepperweed and upland grasses and let the wetland plants propagate naturally, so no additional plant manipulation will occur.

Matthes, Jaclyn Hatala↗

AmeriFlux FLUXNET-1F US-Tw5 East Pond Wetland

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Tw5 East Pond Wetland. This is the FLUXNET version of the carbon flux data for the site US-Tw5 East Pond Wetland produced by applying the standard ONEFlux (1F) software. Site Description - The Twitchell Wetland site is a 6.5 acre restored wetland on Twitchell Island, that is managed by the California Department of Water Resources (DWR) and the U.S. Geological Survey (USGS). In the fall of 1997, the site was permanently flooded to a depth of approximately 55 cm. The wetland remained fairly unvegetated in patches increasing in size towards the east. The site underwent a major disturbance in 2013 when the vegetation was removed to seed a nearby restored wetland. A flux tower equipped to analyze energy, H2O, CO2, and CH4 fluxes was installed on April 17, 2018.

Valach, Alex↗

AmeriFlux CA-DSM Delta Salt Marsh

This is the AmeriFlux version of the carbon flux data for the site CA-DSM Delta Salt Marsh. Site Description - This site is a tidal salt marsh on the eastern side of the Boundary Bay Wildlife Management Area (WMA) in Delta, British Columbia, Canada. This area is located on the southern front of the Fraser River. The total area of the Boundary Bay WMA is 11,470 ha, and the eastern part surrounding the flux tower accounts for 39 ha. This area is surrounded by farms and dikes. The Provincial Government purchased this area in 1974 limiting public access and designated it as WMA in 1995. This area has a mixed semidiurnal tidal cycle. The dominant species is Saltgrass (Distichlis spicata) with a canopy height of ~40 cm. The tower is in a high marsh system and was installed to analyze energy, H2O, CO2, and CH4 fluxes on September 3, 2021.

Knox, Sara↗

AmeriFlux CA-RBM Richmond Brackish Marsh

This is the AmeriFlux version of the carbon flux data for the site CA-RBM Richmond Brackish Marsh. Site Description - This site is a tidal brackish marsh on the southern side of the Sturgeon Bank Wildlife Management Area (WMA) in Richmond, British Columbia, Canada. This area is situated within the estuary of the Fraser River. The total area of Sturgeon Bank WMA is 5,152 ha, of which the tidal marsh area is 205 ha. The southern of the WMA is characterized as a brackish marsh, which transitions to a salt marsh as you go north. Human development has influenced this area for almost 200 years. Human activities in this area began in the early 1800s, which included dredging, dyke and entrainment structures, agriculture, and other uses. The areas were designated as WMA in 1998. This area experiences a semidiurnal tidal cycle. The flux tower is located near the southern edge of the marsh, where the dominant species is cattail (Typha latifolia), with a canopy height of 160 cm. The tower is in a high marsh system and was installed to analyze energy, H2O, CO2, and CH4 fluxes on June 1, 2022.

Knox, Sara [The University of British Columbia]↗

AmeriFlux FLUXNET-1F CA-DSM Delta Salt Marsh

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site CA-DSM Delta Salt Marsh. This is the FLUXNET version of the carbon flux data for the site CA-DSM Delta Salt Marsh produced by applying the standard ONEFlux (1F) software. Site Description - This site is a tidal salt marsh on the eastern side of the Boundary Bay Wildlife Management Area (WMA) in Delta, British Columbia, Canada. This area is located on the southern front of the Fraser River. The total area of the Boundary Bay WMA is 11,470 ha, and the eastern part surrounding the flux tower accounts for 39 ha. This area is surrounded by farms and dikes. The Provincial Government purchased this area in 1974 limiting public access and designated it as WMA in 1995. This area has a mixed semidiurnal tidal cycle. The dominant species is Saltgrass (Distichlis spicata) with a canopy height of ~40 cm. The tower is in a high marsh system and was installed to analyze energy, H2O, CO2, and CH4 fluxes on September 3, 2021.

Knox, Sara [The University of British Columbia]↗

AmeriFlux FLUXNET-1F CA-RBM Richmond Brackish Marsh

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site CA-RBM Richmond Brackish Marsh. This is the FLUXNET version of the carbon flux data for the site CA-RBM Richmond Brackish Marsh produced by applying the standard ONEFlux (1F) software. Site Description - This site is a tidal brackish marsh on the southern side of the Sturgeon Bank Wildlife Management Area (WMA) in Richmond, British Columbia, Canada. This area is situated within the estuary of the Fraser River. The total area of Sturgeon Bank WMA is 5,152 ha, of which the tidal marsh area is 205 ha. The southern of the WMA is characterized as a brackish marsh, which transitions to a salt marsh as you go north. Human development has influenced this area for almost 200 years. Human activities in this area began in the early 1800s, which included dredging, dyke and entrainment structures, agriculture, and other uses. The areas were designated as WMA in 1998. This area experiences a semidiurnal tidal cycle. The flux tower is located near the southern edge of the marsh, where the dominant species is cattail (Typha latifolia), with a canopy height of 160 cm. The tower is in a high marsh system and was installed to analyze energy, H2O, CO2, and CH4 fluxes on June 1, 2022.

Knox, Sara [The University of British Columbia]↗

Discovery of Innovative Polymers for Next-Generation Gas-Separation Membranes using Interpretable Machine Learning

Polymer membranes perform innumerable separations with far-reaching environmental implications. Despite decades of research on membrane technologies, design of new membrane materials remains a largely Edisonian process. To address this shortcoming, we demonstrate a generalizable, accurate machine-learning (ML) implementation for the discovery of innovative polymers with ideal separation performance. Specifically, multitask ML models are trained on available experimental data to link polymer chemistry to gas permeabilities of He, H2, O2, N2, CO2, and CH4. Here, we interpret the ML models and extract chemical heuristics for membrane design, through Shapley Additive exPlanations (SHAP) analysis. We then screen over nine million hypothetical polymers through our models and identify thousands of candidates that lie well above current performance upper bounds. Notably, we discover hundreds of never-before-seen ultrapermeable polymer membranes with O2 and CO2 permeability greater than 104 and 105 Barrer, respectively. These hypothetical polymers are capable of overcoming undesirable trade-off relationship between permeability and selectivity, thus significantly expanding the currently limited library of polymer membranes for highly efficient gas separations. High-fidelity molecular dynamics simulations confirm the ML-predicted gas permeabilities of the promising candidates, which suggests that many can be translated to reality.

Yang, Jason↗

Atmospheric Observation System for Greenhouse Gases (GHG) Instrument Handbook

The Greenhouse Gas (GhG) Measurement system is a combination of two systems in series: (1) the Tower Gas Processing (TGP) System, an instrument rack which pulls, pressurizes, and dries air streams from an atmospheric sampling tower through a series of control and monitoring components, and (2) the Picarro model G2301 cavity ringdown spectrometer (CRDS), which measures CO2, CH4, and H2O vapor; the primary measurements of the GhG system.

54 ENVIRONMENTAL SCIENCES↗

Tribological Behavior of Structural Materials in High Temperature Helium Gas-Cooled Reactor Environments

The High-Temperature Gas-cooled Reactor (HTGR) is a Generation IV concept designed to produce electricity and hydrogen at high efficiencies via high operating temperatures (700 °C or higher). Helium, the primary coolant for HTGRs, contains impurities (e.g., CO, H2O and CH4) that can induce corrosion reactions at high temperatures such as oxidation and (de)carburization, which in turn can affect the tribological behavior of components. Incoloy® 800HT (Ni-Fe-Cr austenitic solid-solution alloy) and Inconel® 617 (Ni-Cr-Co-Mo solid-solution alloy) are two high-temperature superalloys currently selected as candidate structural materials for the HTGR. The objective of this study is to evaluate the high-temperature tribological performance of these two candidate alloys after conditioning them in HTGR environments. Four regimes of corrosion were considered: a non-conditioned regime (Regime I), an oxidizing regime (Regime II), a carburizing and oxidizing regime (Regime III), and a carburizing regime (Regime IV). To simulate oxidation in HTGR, samples were conditioned for 22 days at elevated temperatures in a once-through helium loop with 4 ppmv H2O. Carburization of the samples was achieved by the commercial process, Kolsterising®. In addition, two surface treatments – shot peening and aluminization – were considered as potential routes of improving the alloys’ wear resistance. Surface-treated samples were tested both before and after conditioning in Regime II. Tribological testing of the samples was performed via a pin-on-disk tribometer at elevated temperatures in ambient environment – 650 and 750°C for 800HT; 850 and 900°C for 617 – with applied loads of 1N, 2N and 5N. The wear behavior of the alloys was assessed via wear volume and friction coefficient measurements, supported by morphological, structural and compositional analyses of the wear tracks. Conditioning the samples in Regime II led to the formation of a chromium oxide on both alloys. This protective scale increased the wear resistance compared to that of as-received samples (Regime I) due to the formation of a compacted ‘glaze’ oxide layer during sliding, rendering the wear track nearly undistinguishable from the unworn background and resulting in wear volumes below the detection limits of the measurement technique. The variability of the friction coefficients of the conditioned samples was also considerably reduced compared to that of the as-received samples due to the glaze layer. Additionally, the initial friction coefficients of the samples conditioned in Regime II were reduced by 45% and 54% compared to those of as-received samples for alloys 800HT and 617, respectively. Carburizing the samples (Regime IV) hardened the surfaces of both alloys and promoted the formation of an iron oxide on 800HT during tribological testing, thereby increasing the wear resistance and decreasing the initial friction coefficient by a factor of two compared to those of as-received 800HT. Alloy 617 exhibited an enhanced wear resistance but similar initial friction coefficient compared to those of as-received samples due to the increased surface hardness. The Mn-Cr oxide developed during Regime III conditioning of 800HT did not develop a glaze layer during tribotesting, even at lower loads. Thus, it was not as protective as the oxide produced during conditioning of Regime II samples, leading to lower wear resistance of 800HT in Regime III compared to that measured in the Regime II condition. 800HT benefited from the aluminization surface treatment, particularly before conditioning in Regime II, due to the promotion of a wear-resistant aluminum oxide layer during testing and the increase in surface hardness due to the presence of a FeAl intermetallic phase. The presence of this phase caused an order-of-magnitude reduction in wear volumes compared to those of as-received 800HT. Aluminization of 617 decreased its wear resistance, particularly after conditioning in Regime II, due to significant wear of the aluminum oxide via a ceramic wear mechanism. This aluminum oxide was removed during sliding, causing the wear volumes to increase by a factor of five compared to those of 617 conditioned in Regime II. Shot-peened 800HT exhibited a tribological behavior similar to that of as-received 800HT, despite an enhancement in the rate of chromium oxide formation. Shot-peened 800HT conditioned in Regime II showed lower wear resistance compared to that of 800HT conditioned in Regime II due to the poor adhesion between the oxide and the underlying metal, preventing the formation of the glaze layer during sliding. Shot peening of 617 increased its wear resistance at higher load, reducing worn volumes by 60% compared to that measured with as-received 617. Tribotesting of shot-peened 617 in Regime II revealed that the glaze-oxide layer was formed at every load, resulting in negligible wear, similar to what was observed from testing 617 after conditioning in Regime II. Overall, alloy 617 exhibited tribologically superior behavior compared to that of alloy 800HT, as demonstrated by its lower friction coefficients and its order-of-magnitude lower wear volumes when measurable.

36 MATERIALS SCIENCE↗

Results of the 2018 Wood Stove Design Challenge

The 2018 Wood Stove Design Challenge was an international design competition which sought to identify top performing residential wood stoves based on automation. To prepare for the event, the Northeast States for Coordinated Air Use Management (NESCAUM) developed a testing protocol that challenged the stoves by testing them in more field-like conditions—capturing emissions from start-up, reloading a stove, and the use of larger piece sizes. Flue gas emissions were measured using a combination of in-stack and novel dilution sampling methods, as the event occurred on the National Mall in Washington D.C. in a non-laboratory setting. Particulate matter (PM), carbon monoxide (CO), carbon dioxide (CO2), and methane (CH4) were measured from three stoves in real-time. A combustion efficiency was also calculated for each stove in real-time. Measured PM emission rates ranged between 1.8 and 8.0 g/hr for all stoves and operating conditions, with the highest emissions being measured during cold start in all cases. The test average PM emission rates were 2.4, 4.0, and 2.4 g/hr for stoves A, B, and C, respectively. Results showed emissions measured during transient operations, which are often excluded in current certification methods, can be significantly higher than steady-state periods—echoing other studies and highlighting the importance of testing in various operational modes for more realistic emission estimates. Additionally, the stoves had overall CO emission rates of 48.8, 284.8, and 100.8 g/hr, for stoves A, B and C, respectively. Calculated PM and CO emission factors overall were low considering the testing protocol sought to follow more challenging yet realistic practices in terms of fuel loading and operating procedures. The overall estimated combustion efficiency for stoves A, B, and C was 85%, 78%, 76%, respectively and in all cases was lowest during the cold start period.This report details the successfully proposed and assembled instrumentation that was relatively portable for field-site testing and the results of the emissions measurements for the 2018 Wood Stove Design Challenge competition. Overall, the repeatability of each stove was favorable with coefficients of variation (COV) ranging from 7 to 15% for measured PM concentrations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A Novel Process for Carbon Dioxide Conversion to Fuel

In this project, TDA developed a new mixed metal oxide-based sorbent that converts CO2 (captured from coal fired power plants) to CO, which can then be combined with renewable H2 generated by water electrolysis or H2 from steam methane reforming to produce different liquid fuels. TDA’s absorbent-based CO2 conversion process uses a redox process, which splits the catalytic reforming of methane with CO2 reaction into two stages: CO2 reduction to CO and CH4 reforming into H2 and CO which eliminates the equilibrium limitations. The CO produced in the two-stage reactor system can then be further reacted with renewable H2 to produce methanol, naphtha, diesel, or gasoline. We worked with the Advanced Power & Energy Program (APEP) of University of California, Irvine (UCI) to design and develop the liquid fuel synthesis process that is built around this new material. We demonstrated the techno-economic viability of the new sorbent based redox process to convert CO2 into synthesis gas by demonstrating continuous carbon dioxide reduction in a prototype test system for over 585 hours while converting up to 10 kg CO2/day. With the successful completion of the R&D effort, the technology is now ready for a larger pilot-scale demonstration and the technology readiness has been raised from TRL 3 to TRL 5. In collaboration with UCI, we completed a high-fidelity process design and economic analysis. The required sale price (RSP) for gasoline (Case 1 NG-MTG) is $4.91/gal and naphtha and diesel (Case 2 NG-FT) are $4.23/gal and $6.07/gal, respectively, on a 2011 dollar basis. To put these costs in perspective, the California prices in current dollars (with its strict specifications) for regular grade gasoline from last year to current year have varied from a low of $3.10/gal in January 2021 to a high of $5.76/gal in March 2022, while prices for diesel from last year to current year have varied from a low of $3.40/gal in January 2021 to a high of $6.41/gal in May 2022 according to the U.S. Energy Information Agency data. It should be noted that the gasoline and diesel produced by these designs of Case 1 and Case 2 would be of very high quality and both nitrogen and sulfur free. These RSPs are based on a cost of imported electricity of $64/MWh based on the low-end current wind generated electricity cost (Genevieve 2011). This cost is by far the largest component of the variable costs used in computing the RSPs. A sensitivity analysis of these RSPs to the cost of imported electricity shows that the cost of the imported electricity has a significant effect on the RSPs. The life cycle analysis (LCA) shows that the total cradle-to-gate CO2 emissions for both liquid fuels (diesel and gasoline) were negative, indicating that overall more CO2 is consumed than released during production of the fuel from CO2 feed stack for both cases (-296 kgCO2 per MT gasoline for Case 1 and -705 kgCO2 per MT diesel for Case 2). On a cradle-to-grave comparison, the use of diesel produced using TDA’s process (2,457 kgCO2 per MT diesel) would release 37.6% less CO2 compared to petroleum based diesel (3,937 kgCO2 per MT diesel) while the use of gasoline produced using TDA’s process (2,792 kgCO2 per MT gasoline) would release 29.3% less CO2 compared to petroleum based gasoline (3,946 kgCO2 per MT gasoline). With the successful completion of the R&D effort, the technology is now ready for a bench-scale demonstration and the technology readiness has been raised from TRL 3 (Analytical and experimental critical function and/or characteristic proof of concept) to TRL 5 (Laboratory scale similar system validation in relevant environment).

20 FOSSIL-FUELED POWER PLANTS↗

Highly Efficient Vacuum Smelting of Aluminum

The goal of this SBIR project was to develop and demonstrate an innovative aluminum smelting technology that will significantly increase the range of aluminum alloys that can be manufactured from recycling of scrap aluminum. This will result in reduction of need for primary aluminum with corresponding 95% energy and CO 2 emission benefits. The proposed melting of pre-sorted aluminum alloys using UHV’s patented high throughput sorter funded by ARPA-E METALS program in an energy efficient vacuum furnace avoids the typical 5% metal loss due to oxidation of molten metal. In addition, pre-sorting scrap into different categories (cast, wrought, extrusion and aerospace) allows lower cost production of high value aluminum alloys without the need for adding alloying elements to primary aluminum. During this SBIR project, pure aluminum and several different commercial alloys were procured and melted in a laboratory furnace in vacuum, CH4 and air environments. The slag and oxidation formation were measured using weight and cross-sectional scanning electron microscope. The results otained were mixed and did not show direct correlation between furnace pressure and oxidation. We believe that the results were tainted due to small furnace size and non-uniformity of oxidation layer. A more thorough investigation is required to prove the advantages of vacuum smelting which could not be performed due to the COVID-19 lockdowns during this project. The theoretical fact remains that in the absence of oxygen in the furnace, there should be no oxide after melting, however the team could not prove it experimentally, and thus decided to dis-continue the project.

36 MATERIALS SCIENCE↗