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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.

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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Effect of secondary gas-phase reactions (SGR) in pyrolysis of carbon feedstocks for anisotropic carbon materials production – 3: Modifying non-coking coal tar through co-pyrolysis of coal with linear low-density polyethylene and high-impact polystyrene

Herein, this work focuses on co-pyrolysis experiments of Utah Sufco coal with linear low-density polyethylene (LLDPE) and high-impact polystyrene (HIPS). These two plastic types have differing pyrolysis chemistries and have different hydrogen transfer behavior. Similar to earlier work in this series of papers, controlled secondary gas-phase reactions during pyrolysis were used to induce cracking and condensation reactions among the pyrolytic tar species. Co-pyrolysis tests were performed with feed plastic percentages ranging from 10-20 wt% and pyrolysis SGR temperatures ranging from 800-900°C. Analyses of the intermediate tar products showed that oxygen contents and aromaticity were substantially different, depending on the plastic, and resulting pitch softening points and mesophase contents also varied greatly depending on the starting plastic feedstock used. Most of the synergies observed in the co-pyrolysis results were negative, except for the oxygen content. Oxygen contents were higher than expected when LLDPE was used, resulting in reactive pitches with softening points > 350°C. On the other hand, oxygen contents were lower than expected when HIPS was used, resulting in less reactive pitches. Ultimately, only the HIPS/coal samples created at the SGR temperature of 900°C had reasonable softening points at or under 350°C, making them the only samples created in this work potentially suitable for mesophase pitch-based carbon fiber production. The success in creating fusible mesophase pitches from co-pyrolyzing HIPS with Utah Sufco coal is likely attributed to the fact that polystyrene is a stronger hydrogen acceptor rather than donor, which should facilitate more cracking rather than stabilizing tar oxygen functional groups, making the tar species ultimately less reactive during thermal conversion to mesophase pitch.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

La 3+ and Y 3+ interactions with the carboxylic acid moiety at the liquid/vapor interface: Identification of binding complexes, charge reversal, and detection limits

Specific interactions of yttrium and lanthanum ions with a fatty acid Langmuir monolayer were investigated using vibrational sum frequency spectroscopy. The trivalent ions were shown to interact with the charged form of the carboxylic acid group from nanomolar concentrations (<300 nM). Analysis of the spectral features from both the symmetric and the asymmetric carboxylate modes reveals the presence of at least three distinct coordination structures linked to specific binding configurations. Although the same species were identified for both La 3+ and Y 3+ , they display a different concentration dependence, highlighting the ion-specificity of the interaction. From the analysis of the response of interfacial water molecules, the reversal of the surface charge, as well as the formation of yttrium hydroxide complexes, were detected upon increasing the amount of salt in solution. The binding interaction and kinetics of absorption are sensitive to the solution pH, showing a distinct ion speciation in the interfacial region when compared to the bulk. Changing the subphase pH or adding a monovalent background electrolyte that promotes deprotonation of the carboxylic acid headgroup could further improve the detection limit of La 3+ and Y 3+ to concentrations < 100 nM. These findings demonstrate that nM concentrations of trace metals contaminants, typically found on monovalent salts, can significantly influence the binding structure and kinetics in Langmuir monolayers.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

A new approach of reduction of carbon dioxide emission and optimal use of carbon and hydrogen content for the desired syngas production from coal

We report this research is designed to make progress in overcoming the challenges through the development of a two-stage coal processing. Specifically, a two-stage process was used to maximize the use of the carbon in coal or increase the carbon monoxide yield or lower carbon dioxide and methane yields. Carbon dioxide-char gasification in the absence of water can generate carbon monoxide with near-zero methane, which is desired to produce high-carbon and low-hydrogen chemicals such as oxalic acid through catalytic carbon monoxide coupling and hydrolysis. The technology is applicable to any coal, although Power River Basin (PRB) coal is used as an example feedstock in this research Also, the sodium-iron catalyst can accelerate not only the reaction kinetics in both stages but also increase the hydrogen/carbon monoxide ratio in the syngas produced in the second stage. In other words, the catalyst is a multifunctional agent, which can not only intensify the overall coal process efficiency but also improve the qualities of the desired syngas products and reduce carbon dioxide emission. Thus, In the 1st stage, the catalysts can significantly reduce the CO 2 -char gasification by as high as 75.00%. In the 2nd stage, the H 2 /CO ratio of ideal syngas is ~2:1 with near-0 CH 4 generation and the CH4 production can be reduced as high as 61.29% for the CO 2 –H 2 O-Char coal gasification. The activation energy for the 2nd stage is reduced by as high as 35.43% than that of raw coal without use Na–Fe catalyst. The overall carbon footprint reduction for the study is reduced by 87.33% in the 1st stage and 96.77% compared to the direct coal combustion.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Experimental investigation into coal wettability changes caused by reactions with scCO 2 -H 2 O

Geological CO 2 sequestration (GCS) can help mitigate global warming and enhance methane recovery from coal beds. However, few studies have linked the effects of CO 2 to surface chemistry changes controlling wetting behavior in deep coal beds. Contact angles (CAs) of CO 2 /N 2 -high volatile bituminous coal-water systems were measured under different temperatures and pressures. The surface chemistry and physical structure of coals were characterized to investigate changes in physicochemical properties and their relations with wettability after reactions. For N 2 treatment, the time-dependence of static and dynamic CAs were insignificant, ranging within 4°. For gaseous CO 2 treatment, the static CAs and the average advancing angles increased slightly. With supercritical (sc) CO 2 , both the static and dynamic CAs increased significantly, and θ adv changed to intermediate-wet (92°). Reactions with minerals exposed to scCO 2 resulted in greater surface roughness and heterogeneity, greater contact angle hysteresis and more surface sites occupied by scCO 2 rather than H 2 O. Increases in hydrophobic functional groups and decreases in hydrophilicity were shown by FTIR spectra, reflecting the shedding of polar oxygen-containing functional groups, reduction of hydrogen bonds, and increasing percentage of hydrocarbons. XRD patterns obtained following scCO 2 -treatment showed that crystallite growth and molecular polymerization were higher toward graphite-like. The calculated structural parameters of functional groups and crystallites both showed elevated coal rank. Changes in crystallite structure, notably higher carbon content and decreased negative surface charge, are unfavorable for water-wetting. Finally, this study contributes to understanding surface chemistry changes responsible for decreased wettability during CO 2 -enhanced coal bed methane recovery and GCS in coal reservoirs.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Assessment of Combustion Residual Leachate Volume, Composition, and Treatment Costs

Combustion residuals and the resulting leachate from storage sites represent a large volume of wastewater in the United States (U.S.) that has not been quantified. Here this work estimates the constituents present, volume of wastewater, and costs of treatment for both combustion residual landfill leachate and the leachate from surface impoundment closures. Combustion residual landfill leachate produced from contact with bituminous coal combustion byproducts is generally predicted to be higher in lithium and manganese, whereas landfill leachate produced from contact with subbituminous coal combustion byproducts is generally predicted to be higher in mercury and vanadium. The annual volume of a single landfill with combustion residual leachate can reach more than 800,000 cubic meters. This leachate represents an annual volume of 26.8–42.8 million cubic meters nationally. Closing surface impoundments can yield between 830 and 1040 cubic meters of leachate nationally for a three-year closure period. Costs as low as $1.5/m 3 or as high as $95/m 3 are observed. Treatment trains will need to remove 72% of total suspended solids (TSS), 87% of arsenic, and 64% of mercury from landfill leachate. When applied to impoundments, these treatment trains would need to remove 97% of arsenic.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Leaching of lanthanide and yttrium from a Central Appalachian coal and the ashes obtained at 550–950 °C

Here in this work, we investigated leaching of lanthanide and yttrium (REY) from a Central Appalachian coal and its ashes obtained at 550–950 °C with the main purpose of understanding the impact of ashing temperature on REY leachability in water, ammonium sulfate, and hydrochloric acid. It is found that the coal contains a negligible amount of water-soluble REY, less than 1% ion-exchangeable REY, and about 28% of HCl-soluble REY. Ashing leads to dramatic changes in REY leachability in both ammonium sulfate and hydrochloric acid solutions, which is believed to be related to transformation and redistribution of organically-associated REY in coal during the ashing process. Ashing temperature significantly affects REY leaching from coal ashes; higher ashing temperature results in lower REY leachability in both solutions. Clay minerals may play a significant role in changing the leachability of REY after ashing. In addition, the results also suggest that the organic matter in the coal is relatively enriched in heavy REY.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

The utility of Bayesian data reconciliation for separations

Data reconciliation methods for separation processes typically rely on classical statistical approaches to generate estimates of true mass flow rates from measurements. Knowledge regarding the uncertainty of these estimates has value in decision making, but is often not acquired. Bayesian approaches intrinsically quantify uncertainty; however, literature for Bayesian data reconciliation of separation processes is scarce. This publication outlines two Bayesian data reconciliation models and provides details for how the models were implemented for the BayesMassBal (V 1.0.0) software package written in R. To demonstrate the advantages of this approach for data reconciliation, the models were first applied to simulated data and then compared to a classical model through a Monte Carlo experiment. In this example, the Bayesian models were found to provide more accurate estimates of the simulated data, while also providing quantitative information on the estimate uncertainty. To demonstrate the use of the technique in a practical problem, the models were also applied to real data collected from a pilot-scale rare earth solvent extraction process. Here, this publication provides a small window into how Bayesian methods can be used for data reconciliation, but findings suggest Bayesian data reconciliation models for separation processes have distinct advantages over classical alternatives.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Estimation of process steady state with autoregressive models and Bayesian inference

To improve efficiency, separations engineers will typically design process circuits containing recirculating streams, which mix one or more of the process outputs with the feed material. Doing so can improve efficiency, but will cause a delay in the system reaching steady state conditions until the recirculating load mass flows stabilize. In testing separation circuits, engineers will often test a variety of factors and complete an analysis from sample results. Knowledge of if a process is at steady state, as well as the steady state conditions of a process, is essential for a valid techno-economic analysis. However, the definition of process steady state is often poorly defined, or does not include uncertainty quantification. If the performance of a process operating under two different sets of conditions are compared, an engineer who does not test for steady state or quantify steady state conditions risks producing a faulty analysis. In this work, a Bayesian statistical method for testing if all streams are at steady state is further motivated and then derived. Then after testing for steady state, the same model is used with a prior distribution that enforces a steady state assumption to estimate steady state conditions. Further, these methods were validated in a solvent extraction pilot plant where steady state conditions for all outflows were inferred with uncertainty quantification. Analysis is completed with functions available to the reader as part of the BayesMassBal (V 1.1.0) software package written in R.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Upcycling and urban mining for nanomaterial synthesis

Responsible processing of complex waste streams, especially through resource recovery and upgrading, is essential to lessen the environmental and societal impacts of materials production and disposal. Upcycling waste into materials that have higher value than their original form, and urban mining, the recovery of metals from electronic waste, are two recent strategies in waste management. Sustainable cradle-to-grave manufacturing means recovering resources that would otherwise contaminate the planet. Here, we discuss upcycling of plastic, rubber, and related carbon waste streams into graphene, as well as the recovery of precious metals and rare earth elements, while removing toxic heavy metals, all using flash Joule heating. Furthermore, this article provides a brief overview of the current state of upcycling and urban mining as it applies to materials conversion, recovery, or nanomaterial synthesis, with a concluding perspective highlighting the considerations, opportunities, and challenges that accompany upcycling and urban mining research.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

A machine learning-based interaction force model for non-spherical and irregular particles in low Reynolds number incompressible flows

In this study, interaction force of non-spherical particles in low Reynolds number gas-solid flow is investigated by neural network approaches. An artificial neural network (ANN) model is developed to correlate the non-spherical particle shape and the flow conditions with the interaction force. To define the particle shape, spherical harmonic expansion is applied. Furthermore, variational autoencoder model is then used to extract latent geometric features. The latent vector is utilized as an input with the Reynolds number for the ANN. The interaction force data, which is used as output data of the ANN, is obtained by particle resolved direct numerical simulation for 5200 non-spherical particles. The proposed model enables unsupervised extraction for non-spherical particle shapes and accurate predictions on the interaction force without heavy computation. This study provides the model that can explain complicated shapes of particles and be applied to a large scale, computational fluid dynamics simulation.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Nitrogen evolution, NO X formation and reduction in pressurized oxy coal combustion

Oxy-combustion is one of the most prominent solutions for reducing CO 2 emissions from coal-fired power plants using carbon-capture-and-utilization technology. However, when compared to air combustion at atmospheric pressure, oxy-combustion is very expensive, owing to the significant efficiency penalties associated with air separation, flue gas recirculation (FGR), treatment, compression, and storage or transit of CO 2 . In comparison, pressurized oxy-combustion (POC) is more efficient as it recovers a significant amount of heat energy from the flue gas moistures. Nevertheless, CO 2 derived from pressurized oxy coal combustion has impurities, e.g., acid gases (NO X and SO X ) that can corrode the plant equipment, transport lines as well as deteriorating effect on the environment. Fortunately, in pressurized combustion systems, both NO X and SO X can be scrubbed by a single-column direct contact cooler (DCC), but this requires a minimum ratio of NO X to SO X at the inlet to be efficiently removed. Therefore, NOx is one of the important hindering parameters in commercializing the pressurized oxy-combustion. Although NOx evolution during oxy-coal combustion has been explored extensively at 1 atm, higher pressure studies are rare. Much still needs to be done to better understand the NO X mechanism and the effects of different parameters on NO X emissions under these conditions. Here, this paper reviews the published literature on nitrogen evolution, NO X formation and reduction in pressurized oxy-coal combustion. At higher pressures, the NO X from fuel-bound nitrogen is generated through volatiles, tar and char, all of which are discussed. Where literature is not available, the effect of pressure on NOx evolution in different stages of coal combustion is predicted through CHEMKIN simulation. Homogeneous and heterogeneous pathways of NO X formation and their destruction in pressurized oxy-coal combustion are evaluated. Additionally, the effect of pressure on a few mature and commercialized NOx abatement methods is explored. In the last, the future perspective and recommendation are given. This review will aid in the provision of basic knowledge about NOx evolution and control in pressurized fuel combustion, as well as the identification of new research areas to pursue.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Sorption of rare-earth elements onto a ligand-associated media for pH-dependent extraction and recovery of critical materials

Toward recovering rare-earth elements, we prepared a solid-phase media that binds and elutes metals for extraction and enrichment. We report the synthesis and methodology for a solid-phase media that exhibits pH-dependent binding of aqueous rare-earth elements. The media shows pH-dependent binding of Nd III and retains efficiency over at least six cycles of binding and elution. Mixed solutions of rare-earth elements demonstrated a preference for mid and heavy rare-earth elements based on thermodynamic binding preferences of the ligand, and selectivity for rare-earth elements over iron and aluminum were observed with coal fly ash leachate. In conclusion, we expect this new recovery method to be a significant step towards aqueous-based extraction and enrichment of critically important rare-earth elements.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Selective sulfur removal from semi-dry flue gas desulfurization coal fly ash for concrete and carbon dioxide capture applications

High-sulfur mixed fly ash residues from semi-dry flue gas desulfurization units in coal-fired power plants are unsuitable for use as supplementary cementitious material (SCM) for concrete production or carbon dioxide utilization. In this work, we explore the potential for upcycling a representative spray dry absorber ash (10.44 wt% SO 3 ) into concrete-SCM by selective sulfur removal via weak acid dissolution while simultaneously exploring the possibility for CO 2 capture. Towards this effort, parametric studies varying liquid-to-solid ratio, acidity, and CO 2 pressure were conducted in a batch reactor to establish the sulfur removal characteristics in de-ionized water, nitric acid, and carbonic acid, respectively. The dissolution studies show that the leaching of sulfur from calcium sulfite hemihydrate, which is the predominant S phase, is rapid and achieves a concentration plateau within 5 min, and subsequently, appears to be controlled by the primary mineral solubility. Here, preferential S removal was sufficient to meet SCM standards (e.g., 5.0 wt% as per ASTM C618) using all three washing solutions with 0.62–0.72 selectivity (S^), defined as the molar ratio of S to Ca in the leachate, for a raw fly ash with bulk S^ = 0.3. Acid dissolution with 1.43 meq/g of ash or under 5 atm CO 2 retained > 18 wt% CaO and other Si-, Al-rich phases in the fly ash. Based on the experimental findings, two sulfur removal schemes were suggested for either integration with CO 2 capture and utilization processes using flue gas or to produce fly ash for use as a SCM.

01 COAL, LIGNITE, AND PEAT↗