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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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132 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Assessment of the polygeneration approach in wastewater treatment plants for enhanced energy efficiency and green hydrogen/ammonia production

Wastewater treatment plants (WWTPs) offer opportunities to optimize resource utilization and enhance energy efficiency. Here, this study provides a comprehensive analysis of using the polygeneration approach in WWTPs to reduce grid energy dependence, optimize energy distribution, and utilize surplus energy for hydrogen (H 2 ) and ammonia (NH 3 ) production. Several models were employed, including photovoltaic (PV) cells, parabolic trough collectors (PTCs), steam methane reforming, and polymer electrolyte membranes, to assess the feasibility of this approach. Three scenarios were evaluated and compared: Scenario 1 (Baseline) represents the current situation, Scenario 2 maximizes the Net Present Value (NPV), and Scenario 3 minimizes NH 3 production costs. Real data from As-Samra WWTP in Jordan was used to accurately assess the feasibility of each scenario. The results show that Scenario 2 offers the highest profitability and efficiency, with a NPV of 87.48 million USD and an annual NH 3 production of 15,417 tons, reducing both grid dependency and biogas fuel consumption. Both Scenarios 2 and 3 demonstrate the ability to meet thermal demands efficiently while generating significant revenue from NH 3 production. Scenario 3, in particular, achieves competitive H 2 and NH 3 production costs. Environmentally, Scenario 2 significantly reduces annual greenhouse gas emissions by 12.66 kilotons of CO 2eq , with near-zero carbon intensity for thermal energy due to solar reliance. In conclusion, the polygeneration approach offers a promising pathway for WWTPs to achieve greater sustainability, economic gains, and reduced environmental impact, providing valuable insights for decision-makers.

42 ENGINEERING↗
DOE OSTI2021

Experimental and computational investigations of ethane and ethylene kinetics with copper oxide particles for Chemical Looping Combustion

In this work, reaction pathways for the oxidation of methane, ethane, and ethylene with CuO was obtained by ReaxFF Molecular Dynamics (MD) simulations between temperatures of 1000 K and 2000 K. Experiments in a fixed-bed flow reactor were preformed with methane, ethane, and ethylene at temperatures ranging from 500 K to 1000 K with time-dependent species measurements from an Electron-Ionization Molecular Beam Mass Spectrometer (MBMS), and species validation with Gas Chromatography (GC) for detection of complete and intermediate combustion products. The MBMS and GC allow for the detection of oxygenated species and larger species produced from radical reformation. The simulation and experiment agree on the production of such species as CH 3 CHO, CH 2 O, CO, and H 2 O, which allow for the creation of simple C1 and C2 reaction pathways, which can be used in kinetic models of C2 species and larger fuels such as biofuels, which inherently depend on C1 and C2 kinetics and reaction pathway. The simulation and experiment disagree on the formation of C 2 H 2 , CH 3 OH, and CO 2 with large amounts of C 2 H 2 being measured in the ethylene oxidation simulations and CH 3 OH being formed in methane oxidation simulations, while neither species were experimentally found. In the case of CO 2 large amounts of CO 2 are rapidly produced in experiments with C2 fuels at 800 K, while little-to-no CO 2 was observed in simulations. This is believed to be resulting from the extremely short timescale of the simulations, preventing total oxidation of the fuel. Here, the differences in products produced between simulation and experiment allow for the potential to modify the ReaxFF potential functions to more accurately model the experimental products of Cu–H–O–C reaction kinetics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

CO 2 conversion to syngas via electrification of endothermal reactors: Process design and environmental impact analysis

CO 2 utilization via reverse water gas shift (rWGS) reaction has been proposed as a path to the sustainable utilization. Here this work presents a detailed process modelling study where steam methane reforming (SMR) generated hydrogen was combined with rWGS to produce syngas (CO + H 2 ) with various hydrogen-to-carbon oxide ratios. To further decrease CO 2 emissions that may offset the benefits of CO 2 converted in rWGS, electrification of endothermal reactors, both SMR and rWGS was considered where CO 2 emitting fuel burning in the furnace was replaced by the emerging ohmic (resistive) heating. Material and energy inventory obtained from process design calculations was used to perform Life Cycle Analysis (LCA) to calculate environmental impacts of CO 2 consumption and reactor electrification. The results showed that greenhouse gas emissions, in CO 2 kg equivalent, were the lowest when both SMR and rWGS were heated using wind-generated electricity, decreasing from 25 to 10 kg CO 2 equivalent for H 2 :CO = 2:1 while the conventional electricity mix used for furnace electrical heating across the board of scenarios generated highest environmental impacts, much higher than those that used natural gas as fuel. Process economics calculations suggested that, when both SMR and rWGS were electrically heated, the process only showed product syngas cost parity with the conventional fuel heated design when electricity cost was ~$0.008/kWh. This suggests that CO 2 utilization scenarios involving process electrification need to be carefully considered from the total design perspective so they do not produce more greenhouse gases than in conventional non-electrified scenarios.

42 ENGINEERING↗
DOE OSTI2025

Biogas sequestration to carbon nanofibers via tandem catalytic strategies

Upgrading decentralized biogas represents a sustainable route to produce valuable products while mitigating two potent greenhouse gases, namely, methane (CH 4 ) and carbon dioxide (CO 2 ). Conventional dry reforming of CH 4 with CO 2 yields syngas with low H 2 /CO ratios (≤1) and requires high temperatures (>800 °C) to overcome equilibrium constraints and abate coke deposition, which limits commercial implementation. Here we demonstrate the conversion of biogas into value-added carbon nanofibers via reaction integration in tandem reactors, while reducing the reaction temperature, shifting equilibrium limits and yielding H 2 -enriched syngas (H 2 /CO = 2–3) as a byproduct. Experimental and theoretical insights reveal that potassium (K) modification enhances carbon nanofiber formation due to synergistic effects via a balanced interplay between KO x -induced cobalt facets and cobalt carbide species. In conclusion, the energy cost and CO 2 footprint analyses highlight the potential advantages of tandem processes for the sustainable upgrading of biogas into valuable solid carbon products.

09 BIOMASS FUELS↗
DOE OSTI2021

Computational Fluid Dynamics Modeling to Simulate a Combined Reforming Process for Syngas and Hydrogen Production

An Oxygen Transport Membrane (OTM) combined reforming technology for producing syngas and hydrogen integrates the advantages of multiple processes—steam methane reforming (SMR), autothermal reforming (ATR), an air separation unit (ASU)—into a single integrated technology. The OTM consists of a primary reforming tube, in which desulfurized natural gas is partially reformed by steam at high pressure in the presence of a metal catalyst. This process is followed in series by a ceramic OTM with a secondary reformer, in which residual methane reforms and O 2 - ions react with a portion of the CO and H 2 fuel to provide the heat to support both primary and secondary reforming. Although the OTM combined reformer technology for syngas and H 2 production has been substantially developed in the last decade, several challenges that affect the overall production efficiency and reliability are yet to be fully understood, addressed, and resolved. Therefore, developing Computational Fluid Dynamics (CFD) models that incorporate fluid dynamics, mass transport, kinetics, heat transport, and structural mechanics is critical to understanding and minimizing the probability of tube failures during the startup and operation. In this report, an exhaustive literature review was performed to survey the current state of technology for producing syngas and H 2 using either conventional or renewable energy sources. The feedstocks reviewed include natural gas and coal for the conventional technologies, whereas biomass, solar, wind, and nuclear energy for the renewable technologies. The existing industry-grade COMSOL multiphysics models of OTM were upgraded for the latest software release. In addition, they were improved to help achieve grid and solver independence and were successfully ported on the ORNL high-performance computing clusters to speed up their run times. A 42% reduction in the simulation run time was achieved. A new higher-fidelity CFD model of an OTM tube was developed in the StarCCM+ simulation platform. This new model was designed to simulate various physics using first principles, e.g., turbulent flow, heat transfer, and chemical reactions while avoiding unnecessary simplifications. The resulting predictions were qualitatively assessed and provided useful insights into the multiphysics complexity of an OTM tube.

08 HYDROGEN↗
DOE OSTI2021

Microchannel Reactor for Ethanol to Butene: CRADA 503 [Abstract only]

A key challenge facing most bioprocessing operations is that multiple unit operations are required, thereby resulting in complex, energy-intensive, and expensive processes. Further, biomass transportation costs drive the need for smaller, distributed processing plants. To incorporate the smaller scales desirable for biomass, novel processes must be developed with reduced capital costs. With over 20 years of experience in the development and commercialization of microchannel reactor technology, Oregon State University will partner with Pacific Northwest National Laboratory to demonstrate a microchannel reactor with lower capital costs for an alcohol-to-jet (ATJ) process technology that is currently being commercialized by LanzaTech. Ethanol can be produced from biomass feedstocks such as LanzaTech’s proprietary biochemical process using carbon from a number of possible feedstocks; syngas generated from biomass resources (e.g., MSW, organic industrial waste, agriculture waste) or reformed biogas, or from other biomass feedstocks such as corn kernel fiber. Ethanol then undergoes catalytic dehydration to form ethylene followed by a two-step oligomerization, hydrogenation, and fractionation to control the hydrocarbon product slate to the jet-range. Successful process development aided by a market pull for low carbon aviation fuel has spurred scale-up and commercial demonstration. However, Sustainable Aviation Fuel is a very price sensitive market and improved economics through process intensification will make the current ATJ process even more attractive. Recent efforts at PNNL have culminated in the development of a new catalyst technology for the conversion of ethanol to n-butene-rich olefins. A greater than 90% conversion, total olefin selectivity of 80-90% (n-butene selectivity ~60%), and good stability over a 100 hour test duration has been demonstrated at the bench scale. Producing butene-rich olefins directly from ethanol with high yield is new and impactful because the higher olefins can be selectively oligomerized to distillate-range hydrocarbons, thus eliminating one process step from the current ATJ process. Further, coupling the severely endothermic ethanol dehydration with exothermic C-C bond formation results in more energy efficient processing. Additional intensification and energy savings will stem from incorporating this new ethanol to n-butene catalyst technology within the ATJ process implemented using a microchannel reactor platform. Due to recent advances in microchannel manufacturing methods and associated cost reductions we believe the time is right to adapt this technology toward new commercial bioconversion applications.

02 PETROLEUM↗