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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Hydrogen Detection Strategies to Support H2@SCALE - The NREL Sensor Laboratory

Hydrogen represents a major pathway to decarbonize and stabilize the national and international energy industry and select manufacturing markets. To facilitate the development of hydrogen markets, the US Department of Energy initiated H2@Scale to bring together stakeholders to advance affordable hydrogen production, transport, storage, and utilization to increase revenue opportunities in multiple energy sectors. One major impediment to hydrogen implementation is cost. To expedite the use of hydrogen in energy and other markets, the United States announced in 2021 the Hydrogen Shot, which seeks to reduce the cost of clean hydrogen by 80% to $1 per 1 kilogram in 1 decade ("1 1 1"). As the cost of hydrogen drops, new applications will emerge that will require unique configurations of existing equipment and infrastructure, and eventually lead to advances in the generation and utilization of hydrogen. As the hydrogen economy expands, sensors and detection methods will need to adapt to changing infrastructure demands to address the primary targets of health & safety, emissions monitoring, and process control. The NREL Sensor Laboratory is playing a pivotal role in advancing the use of hydrogen sensors and detection methodologies in each of these categories to support DOE's mission for safe and efficient utilization in emerging markets. Health & safety monitors are required to ensure that operators and facilities can react to unintended hydrogen releases, either as GH2, LH2, or as a constituent of blends (e.g., natural gas or ammonia). Current detection methodologies focus on safety applications to detect near its lower flammable limit (4 vol %), and typically include point sensors in applications such as fixed or mobile detectors (e.g., personal gas monitors). Methodologies amenable for area detection include acoustic, emerging optical imaging methods, and flame detectors. Comparable detection strategies can be utilized for emissions monitoring and quantization, however few methods can simultaneously cover both low (emissions) and high (health & safety) levels. Deployment of emission level detectors will be required to 1) reduce product loss through small but potentially significant leaks from an environmental or cost perspective, 2) reduce downtime of high demand systems by early identification of eminent system failures (leaks through pump or compressor seals indicative of impending failure), and 3) address potential emission monitoring requirements that may be set by regulating bodies. The first two points should be adopted by industry to reduce the cost-of-goods-sold. The third main category for hydrogen detection relates to process control and may be advantageous for many existing applications. Two main applications are emerging. For example, the purity requirements for hydrogen that is dispensed from refueling systems for hydrogen fuel cell electric vehicles (FCEV) is rigorously regulated by the Standard SAE J2719, which prescribes maximum allowable levels of multiple impurities in the hydrogen fuel and must be verified by a regulatory body. Hydrogen contaminant detectors (HCD) integrated to the fueling station can assure this compliance. HCDs must be able operate in 100% H2 backgrounds and be able to distinguish between multiple contaminants at low ppm to low ppb levels. Secondly, as a strategy to decarbonize the natural gas grid, there are proposals to blend hydrogen with natural gas. This blending will affect transport applications (pipeline infrastructure), stationary combustion systems (turbines), and consumer and commercial appliances. In the short-term, hydrogen levels up to 20% are proposed. Variations in the hydrogen level can have dramatic impact on the combustion process and on the potential response of safety sensors. These mixtures may be regulated so that the concentration at a delivery point must be monitored with high precision. However, routine maintenance may introduce background gases such as ambient air (with water) or maintenance gases (introduced with welding processes or adhesive outgassing.) Therefore, the detection methodology must be robust enough to recover or respond to various contaminants. Several reviews can be found in literature addressing sensing and detection technologies, including their limitations and applications. However, for most applications, limitations can be alleviated by combining various detection techniques either through system integration or implementation of machine learning methods (artificial intelligence). In this presentation, we will discuss several applications, highlight their current approach for hydrogen detection, and suggest detection strategies to supplement their limitations.

ENERGY STORAGE,HYDROGEN↗
DOE OSTI2020

A New Process for Carbon Dioxide Conversion to Fuel

In this project, TDA developed a new mixed metal oxide-based sorbent that converts CO 2 (captured from coal fired power plant) to CO, which can then be combined with renewable H 2 generated by water electrolysis to produce different liquid fuels. TDA’s absorbent-based CO 2 conversion process uses a redox process, which splits the reverse water gas shift reaction steps into two stages: CO 2 reduction to CO and H 2 oxidation to H 2 O and eliminates the equilibrium limitations. The CO produced in the two-stage reactor system can then be further reacted with renewable H 2 to produce methanol, naphtha, diesel, or gasoline. We worked with the Gas Technology Institute (GTI) and 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 CO 2 into synthesis gas by: 1) demonstrating continuous carbon dioxide reduction in a prototype test system for over 500 hours while converting up to 0.4 kg CO 2 /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 UCI, we also completed a high-fidelity process design and economic analysis. The required selling price (RSP) for methanol (Case 1 H2-MeOH) is $\$$3.06/gal, naphtha and diesel (Case 2 H2-FT) are $\$$6.21/gal and $\$$8.91/gal, and for gasoline (Case 3 H2-MTG) is $\$$6.96/gal on a 2011 dollar basis. To put these costs in perspective, the recent (June 2020) U.S. price for methanol made from natural gas is about $\$$1.19/gal according to Methanex, a major methanol producer in North America. The recent (June 2, 2020) California prices for gasoline and diesel with California’s strict specifications are $\$$3.35/gal and $\$$3.73/gal according to the U.S. Energy Information Agency. On the other hand, it should be noted that the gasoline and diesel produced by the designs of Case 2 and Case 3 would be 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 and Ramsden, Wind Electrolysis: Hydrogen Cost Optimization, Technical Report, June 2011, NREL/TP-5600-50408). This cost is by far the largest component of the variable costs used in computing the RSPs. The cost of the imported electricity has to approach zero for the RSP to be competitive for methanol produced in Case 1 and naphtha and diesel produced in Case 2 while the cost of electricity has to be less than $\$$10/MWh for gasoline produced in Case 3.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1996

Space Electrochemical Research and Technology

Individual papers presented at the conference address the following topics: development of a micro-fiber nickel electrode for nickel-hydrogen cell, high performance nickel electrodes for space power application, bending properties of nickel electrodes for nickel-hydrogen batteries, effect of KOH concentration and anions on the performance of a Ni-H2 battery positive plate, advanced dependent pressure vessel nickel hydrogen spacecraft cell and battery design, electrolyte management considerations in modern nickel hydrogen and nickel cadmium cell and battery design, a novel unitized regenerative proton exchange membrane fuel cell, fuel cell systems for first lunar outpost - reactant storage options, the TMI regenerable solid oxide fuel cell, engineering development program of a closed aluminum-oxygen semi-cell system for an unmanned underwater vehicle, SPE OBOGS on-board oxygen generating system, hermetically sealed aluminum electrolytic capacitor, sol-gel technology and advanced electrochemical energy storage materials, development of electrochemical supercapacitors for EMA applications, and high energy density electrolytic capacitor.

Richard M Wilson↗
NASA NTRS1973

An injector design model for predicting rocket engine performance and heat transfer

A model is formulated for estimating the performance and chamber heat transfer in rocket injectors/chambers operating with gaseous H2-O2 propellants. The model quantifies the combustion performance and chamber heat flux for variables such as chamber length, element type, element area ratio, impingement angle, thrust/element, mixture ratio, moment ratio, element spacing, and physical size. Design equations are given and curves are plotted for evaluation of combustion performance in injectors comprised of F-O-F triplet, premix, coaxial and swirl coaxial element types. Curve plots and equations are also included for estimation of the chamber wall heat fluxes generated by these element types.

Calhoon, D. F.↗
NASA NTRS2000

Photochemical Modeling of CH3 Abundances in the Outer Solar System

Recent measurements of methyl radicals (CH3) in the upper atmospheres of Saturn and Neptune by the Infrared Space Observatory (ISO) provide new constraints to photochemical models of hydrocarbon chemistry in the outer solar system. The derived column abundances of CH3 on Saturn above 10 mbar and Neptune above the 0.2 mbar pressure level are (2.5 - 6.0) x 10(exp 13) / sq cm and (0.7 - 2.8) x 10(exp 13) / sq cm, respectively. We use the updated Caltech/Jet Propulsion Laboratory photochemical model, which incorporates hydrocarbon photochemistry, vertical molecular and bulk atmospheric eddy diffusion, and realistic radiative transfer modeling, to study the CH3 abundances in the upper atmosphere of the giant planets and Titan. We identify the key reactions that control the concentrations of CH3 in the model, such as the three-body recombination reaction, CH3 + CH3 + M yields C2H6 + M. We evaluate and extrapolate the three-body rate constant of this reaction to the low-temperature limit (1.8 x 10(exp -16) T(sup -3.75) e(sup -300/T), T < 300 K) and compare methyl radical abundances in five atmospheres: Jupiter, Saturn, Uranus, Neptune, and Titan. The sensitivity of our models to the rate coefficients for the reactions H + CH3 + M yields CH4 + M, H + C2H3 yields C2H2 + H2, (sup 1)CH2 + H2 yields CH3 + H, and H + C2H5 yields 2CH3, the branching ratios of CH4 photolysis, vertical mixing in the five atmospheres, and Lyman alpha photon enhancement at the orbit of Neptune have all been tested. The results of our model CH3 abundances for both Saturn (5.1 x 10(exp 13) / sq cm) and Neptune (2.2 x 10(exp 13) / sq cm) show good agreement with ISO Short Wavelength Spectrometer measurements. Using the same chemical reaction set, our calculations also successfully generate vertical profiles of stable hydrocarbons consistent with Voyager and ground-based measurements in these outer solar system atmospheres. Predictions of CH3 column concentrations (for p <= 0.2 mbar) in the atmospheres of Jupiter (3.3 x 10(exp 13) /sq cm), Uranus (2.5 x 10(exp 12) / sq cm), and Titan (1.9 x 10(exp 15) / sq cm) may be checked by future observations.

Lee, Anthony Y. T.↗
DOE OSTI2025

Preliminary techno-economic assessment of gas switching reforming (GSR) of natural gas for pure hydrogen production and power generation with integrated CO2 capture

The increasing demand for hydrogen and the CO2 intensity of natural gas (NG) reforming motivate the development of low-carbon-emission hydrogen production technologies. Gas Switching Reforming (GSR) with integrated CO2 capture, a technology based on Chemical Looping Reforming (CLR), has been experimentally proven and shows potential for scale-up. In this study, select oxygen carriers (OC) (NiO/Al2O3, Fe2O3-CeO2/Al2O3, and magnetite) were tested in methane steam reforming in a fixed bed reactor to determine their relative reactivities under relevant conditions for GSR (800 °C, 7 bar total pressure). Process models were then developed to perform techno-economic analysis (TEA) of GSR for hydrogen production (GSR-H2) and a combined cycle (GSR-CC) in which high-purity H2 is fired in a gas turbine to produce electricity. Operating at 10 bar and 1100 °C and with the additional recovery steps implemented increased H2 production by ∼ 30% and improved efficiency relative to prior studies. For GSR-H2, the levelized cost of hydrogen (LCOH) is 1.61–1.64 $/kg-H2, competitive with a reference SMR case, though operating and maintenance costs are higher due to increased electricity demand. GSR-CC has a significantly higher levelized cost of electricity (LCOE) than its reference NGCC (natural gas combined cycle) plant, suggesting it is less competitive; however, increasing production scale could make it more attractive. Life-cycle results for GSR-H2 indicate NG consumption drives ∼ 75% of total global warming impacts (∼2.3 kg CO2 eq/kg H2). An environmental, health, and safety screening suggests iron-based carriers are comparatively safer, whereas NiO may pose greater risks. Overall, GSR-H2 is a scalable, competitive option for hydrogen production using nickel and non-nickel OC.

03 NATURAL GAS↗
NASA NTRS1994

Rotational excitation of H2 in collision with H

Rate coefficients for the reactive processes of ortho-para conversion in which the j = 0 rotational level of molecular hydrogen is excited to the j = 1 and j = 3 level by impacts with hydrogen atoms are calculated for temperatures between 30 K and 1000 K using a fully converged complete close-coupled method. Rate coefficients are also obtained for the excitation from the j = 0 to the j = 2 rotational level and from the j = 1 to the j = 3 rotational level. The interference between the direct and reactive channels is taken into account as is the geometric phase resulting from the adiabatic separation of electronic and nuclear motion that generates the potential energy surface. Convenient analytic representations of the rate coefficients are presented.

Sun, Y.↗
NASA NTRS1990

The ultraviolet continuum albedo of Uranus

A radiative transfer code explicitly treating the Raman scattering of solar protons by H2 is presently used to analyze the Uranus geometric albedo in the 2000-5000 A range. The Baines and Bergstralh (1986) baseline model used reproduces the geometric albedo peak produced by Raman scattering filling of solar absorption line cores, but is found to be excessively bright for wavelengths below 2400 A. This discrepancy is resolvable through inclusion of an absorbing stratospheric haze layer, and results are thereby obtained which are consistent with the Pollack et al. (1987) model, in which aerosols are generated stratospherically through photochemical effects on hydrocarbons.

Cochran, William D.↗
NASA NTRS2010

Extracting Oxygen from Lunar Simulant Using a Transparent Furnace Pulsed Fluidized Bed

In the event that humans return to the moon, utilizing the local materials will be beneficial for extended stays. Rather than transporting resources, such as oxygen, from Earth, NASA is investigating methods of extracting it from lunar regolith. One promising process is hydrogen reduction. In the hydrogen reduction process, lunar regolith is heated to 1000 C in the presence of hydrogen. The iron oxide (Fe-O) bonds, found in lunar material, are broken and the hydrogen attracts the oxygen to produce water vapor [Allen et al., 1996]. FeO + H2 (right arrow) Fe +H2O. The water vapor is then captured, cleaned, and electrolyzed. The hydrogen is recycled back to the reduction process and the oxygen is stored until consumed by an end user (propulsion, life support, etc.). To obtain a good oxygen yield, the majority of lunar regolith must be exposed to the hydrogen gas and have a high rate of heat transfer from heat source to particle. This is achieved with good solids mixing via fluidization or mechanical agitation. In Generation II of the ROxygen program, the ROxygen Team at Johnson Space Center (JSC) investigated the feasibility of gas only pulsed fluidization as the only means to mix synthetic lunar regolith (simulant) at high temperatures. Fluidized beds have been used in industry to effectively process powders for decades. They consist of gas flowing upward through a bed of particles. The stirring action continuously moves the grains around to achieve uniform mixing of gas, solids, and heat [Geldart, 1986]. A transparent furnace unit was developed by Thoughventions Unlimited LLC (TvU) to aid in the qualitative observation of the fluidization behavior at high temperatures. Multipoint thermocouples and pressure sensors provided quantitative information regarding the quality of mixing. The water produced was measured using humidity sensors and captured using a NASA designed and built condenser. Once the simulant was processed, pneumatically transporting the 'hot' simulant out of the furnace was investigated.

Oryshchyn, L.↗
NASA NTRS1977

High pressure gas storage system consumable analyses for ALT flights free flight 1 and free flight 6

Consumables analyses are presented for the high pressure gas storage oxygen (O2), and hydrogen (H2) reactant systems for orbiter vehicle 101 approach and landing tests, for two flights, free flight 1 and free flight 6 are given. The consumables analyses are based on average power data. The required system and mission data updates were made in order to perform the analyses, notably the thermal environment profiles of the reactant storage cylinders and the power profile for the Electrical power subsystem. No mission-dependent environment profiles were provided; therefore, nominal free flight mission profile was used to generate environment profiles for free flights 1 and 6.

Hurst, J. E.↗
NASA NTRS1996

Radioactive Transfer Models for Saturn and Titan

The infrared spectra of the earth's atmosphere and planetary atmospheres contains information about atmospheric physical and chemical processes. Atmospheric molecular constituents absorb and emit infrared radiation by rotational and vibrational transition. Observed spectra exhibit characteristic features in the electromagnetic spectrum region. Observation of the absorption or thermal emission spectra may be obtained with space-borne high resolution infrared spectrometers in the 10-5000 cm(exp -1) (2-1000 micro-m) spectral region. Information about the atmospheric thermal structure, composition, and the chemical and physical processes of the observed spectral was accomplished. A preliminary version of a P-T retrieval algorithm for Saturn using all three modes for temperature inversion, e.g., CH4-limb, and H2-nadir spectra was completed and tested for accuracy. Radiative transfer and inversion programs were studied and analyzed for applications to infrared limb thermal emission observations of Saturn and Titan from the Cassini Orbiter, as well as Earth's atmosphere. Analysis and modification of the existing radiative transfer and inversion programs for Earth and planetary atmospheres are being made. Data analysis and retrieval of information form the observations by digital calculations were carried out at UAH and MSFC computer. The working program for generating and reading g-k arrays for using the c-k arrays via the c-k method for radiative transfer calculations for desired atmospheric and instrumental parameters was completed, tested for accuracy and resides at the MSFC computer.

Wu, S. T.↗
NASA NTRS1993

Integrated oxygen recovery system

Life Systems has conceptualized an innovative Integrated Oxygen Recovery System (IORS) applicable to advanced mission air revitalization. The IORS provides the capability to electrochemically generate metabolic oxygen (O2) and recover O2 from the space habitat atmosphere via a carbon dioxide (CO2) reduction process within a single assembly. To achieve this capability, the IORS utilizes a Solid Metal Cathode (SMC) water electrolysis unit that simultaneously serves as the Sabatier CO2 reduction reactor. The IORS enables two major life support systems currently baselined in closed loop air revitalization systems to be combined into one smaller, less complex system. This concept reduces fluidic and electrical interface requirements and eliminates a hydrogen (H2) interface. Life Systems is performing an evaluation of the IORS process directed at demonstrating performance and quantifying key physical characteristics including power, weight, and volume. Technical progress achieved during the first two months of the program is summarized.

Lee, M. Gene↗
NASA NTRS1993

Integrated oxygen recovery system

Life Systems has conceptualized an innovative Integrated Oxygen Recovery System (IORS) applicable to advanced mission air revitalization. The IORS provides the capability to electrochemically generate metabolic oxygen (O2) and recover O2 from the space habitat atmosphere via a carbon dioxide (CO2) reduction process within a single assembly. To achieve this capability, the IORS utilizes a Solid Metal Cathode (SMC) water electrolysis unit that simultaneously serves as the Sabatier CO2 reduction reactor. The IORS enables two major life support systems currently baselined in closed loop air revitalization systems to be combined into one smaller, less complex system. This concept reduces fluidic and electrical interface requirements and eliminates a hydrogen (H2) interface. Life Systems is performing an evaluation of the IORS process directed at demonstrating performance and quantifying key physical characteristics including power, weight, and volume. The results of the checkout, shakedown, and initial parametric tests are summarized.

Lee, M. Gene↗
DOE OSTI2023

Hydrogen and Ammonia Blending With Natural Gas: Ignition Delay Times and Chemical Kinetic Model Validation at Gas Turbine Relevant Conditions

Abstract Ignition delay times from undiluted mixtures of natural gas (NG)/H2/Air and NG/NH3/Air were measured using a high-pressure shock tube at the University of Central Florida. The combustion temperatures were experimentally tested between 1000–1500 K near a constant pressure of 25 bar. As mentioned, mixtures were kept undiluted to replicate the same chemistry pathways seen in gas turbine combustion chambers. Recorded combustion pressures exceeded 200 bar due to the large energy release, hence why these were performed at the high-pressure shock tube facility. The data is compared to the predictions of the NUIGMech 1.1 mechanism for chemical kinetic model validation and refinement. An exceptional agreement was shown for stoichiometric conditions in all cases but strayed at lean and rich equivalence ratios, especially in the lower temperature regime of H2 addition and all temperature ranges of the baseline NG mixture. Hydrogen addition also decreased ignition delay times by nearly 90%, while NH3 fuel addition made no noticeable difference in ignition time. NG/NH3 exhibited similar chemistry to pure NG under the same conditions, which is shown in a sensitivity analysis. The reaction CH3 + O2 = CH3O + O is identified and suggested as a possible modification target to improve model performance. Increasing the robustness of chemical kinetic models via experimental validation will directly aid in designing next-generation combustion chambers for use in gas turbines, which in turn will greatly lower global emissions and reduce greenhouse effects.

Pierro, Michael↗
NASA NTRSDate not supplied

Evaluating Lunar Water Processing System Model Configurations for Small Scale Oxygen and Hydrogen Production Within JAXA'S ISRU Technology

Introduction: In-Situ Resource Utilization (ISRU) refers to novel methods of extracting and processing local resources for use in life support and propulsion systems, reducing or eliminating the required consumables to be transferred from Earth. Current estimates of water-ice availability embedded in regolith within the Moon’s permanently shadowed regions (PSR’s) range between 1-5% by weight. However, the composition and characteristics of the “wet” regolith is unknown. Alternate ISRU excavation techniques and Concept of Operations (ConOps) must be explored to optimize surface system operations based on these factors. To assess the feasibility of different ISRU subsystem technologies and compare system architecture configurations, an interchangeable system model was generated to incorporate technologies spanning excavation of raw materials to storage of products and determine optimal arrangement of total system processing needs. Total Mass, Volume, and Power (M/V/P) requirements were computed for 168 design iterations of this water processing plant. System Model: In FY24, the System Engineering and Integration (SE&I) ISRU Modeling and Analysis (SIMA) team developed a lunar water processing system model using the Mission Analysis and Integration Tool (MAIT) to estimate the M/V/P for ISRU subsystems operating under a wide range of Hydrogen (H2) and Oxygen (O2) production targets for the Space Technology Mission Directorate (STMD) [1]. Based on Japan Aerospace Exploration Agency’s (JAXA) surface operational requirements, this system architecture was modified to include the ability to excavate consolidated icy regolith (versus granular ice excavation using Kennedy Space Center’s (KSC) ISRU Pilot Excavator, IPEx) and explore the feasibility of processing the lunar water both inside and outside of the PSR. For the consolidated icy regolith case study, excavation was performed via a mobility transport chassis outfitted with The Regolith Ice Drill for Exploring New Terrain (TRIDENT) for drilling [2] and the Cold Operable Lunar Deployable Arm (COLDArm) [3] for regolith transfer. The system model determines the required rover and payload. M/V/P to handle the required regolith processing rates. The regolith is then sorted and heated to sublimate the ice (via an auger dryer). The exiting high temperature, low pressure vapor is cleaned of volatiles (via cold trap) and electrolyzed to produce H2 and O2. These products are then dried, liquified with 20 K and 90 K cryocoolers (for H2 and O2, respectively), and stored in cylindrical tanks. Study Goals: Due to the different ConOps options of regolith transport to the ridge for processing versus processing it directly inside the PSR, as well as the unknown regolith/water-ice composition, new excavation techniques and their power configurations are being evaluated within a ISRU system architecture for production targets less than NASA’s pilot plant (1 mT). This analysis investigates the feasibility of numerous excavation techniques, power architectures, and logistical operations and determines an optimal system configuration with regards to M/V/P. It aims to investigate which parameters, both locally and globally, have the greatest effect on each subsystem within the plant. This can be used to identify the most critical components of the plant, and guide future decisions on allocating funding for research and development. The results from this study may provide subsystem developers with appropriate interfaces with excavation subsystems and downstream processes, and assessing the overall feasibility of each excavation technique, power architecture, and logistical timeframe. References: [1] Carlson, A. et. al. (2024) ICES. [2] Zacny, K., et. al. (2024) “ASCE Earth and Space”. [3] McCormick, R., et. Al. (2024) IEEE Xplore.

ISRU↗
NASA NTRSDate not supplied

Modeling Electrolytic O2 Recovery from Metabolic CO2 for Advanced Closed Loop Life Support Systems in Extraterrestrial Human Missions

The International Space Station (ISS) is currently equipped with a complex, heavy, and power consuming system that recovers approximately 50% of O2 from metabolic CO2. Future long duration human missions to the Moon and Mars will necessitate a sustainable and highly efficient metabolic oxygen recovery system capable of yielding a minimum of 75% O2 recovery. A Macrofluidic Electrochemical Reactor (MFECR) technology development effort is currently underway at NASA Marshall Space Flight Center (MSFC) to significantly increase current metabolic O2 recovery efficiency, expand mission sustainability, and reduce complexity of the system. The novel design combines CO2 conversion to O2 along with C2H4 as byproduct and water electrolysis (currently conducted in two separate units) into a single compact unit that runs at standard conditions and is theoretically capable of generating O2 with a theoretical maximum metabolic CO2 conversion of 73% while consuming less than metabolic water. This paper presents a comprehensive multi-physic 3D model developed at MSFC on CO2 conversion to O2 and C2H4 at standard conditions via MFECR. The 3D spatial domain of the model is a replica of the actual MFECR’s 3D drawing generated for the MFECR fabrication and operated to recover O2 from CO2 yielding C2H4 as byproduct. Electrochemical (EC) physics that includes EC multicomponent reaction mechanisms, mass transport, and electrical current density distributions is coupled in the model with all the other physics phenomena involved in the MFECR’s process, such as two-phase flow, free and porous fluid regimes, multicomponent mass transfer, heat transfer, and DC electrical current generation along with Joule heating effect. The EC reaction sections of the MFECR consists of two porous gas diffusion electrodes (GDE) and an electrolyte serpentine channel sandwiched in the middle. The CO2 feeds the cathode serpentine channel and part of the O2 product is fed back to the anode serpentine chamber. An alkaline solution feeds the electrolyte serpentine chamber wetting the GDEs of both, the anode and cathode allowing the OH- ionic transport between them. The EC reactions in the cathode’s GDE yield C2H4 from CO2 and H2 from water while the EC reaction in the anode’s GDE yields O2. The authors will present in this paper the validation of the model using experimental data and the utilization of the validated model in building a reliable simulator that will not only assist the authors on the MFECR design but also the optimization of its operation in the ISS and future spatial human missions.

Jesus A Dominguez↗
NASA NTRS2004

Photoionization in Ultraviolet Processing of Astrophysical Ice Analogs at Cryogenic Temperatures

Two recent experimental studies have demonstrated that amino acids or amino acid precursors are generated when astrophysical ice analogs are subjected to ultraviolet (UV) irradiation at cryogenic temperatures. Understanding the complete phenomenology of photoprocessing is critical to elucidating chemical reaction mechanisms that can function within an ice matrix under very cold conditions. Pushing beyond the much better characterized study of photolytic dissociation of chemical bonds through electronic excitation, this work explored the ability of UV radiation present in the interstellar medium to ionize small molecules embedded in ices. Quantum chemical calculations, including bulk solvation effects, were used to study the ionization of hydrogen (H2), water, and methanol (CH3OH) bound in small clusters of water. Ionization potentials were found to be much smaller in the condensed phase than in the gas phase; even a small cluster can account for large changes in the ionization potentials in ice, as well as the known formation of an OH--H3O+ pair in the case of H2O photoionization. To gauge the impact of photoionization on subsequent grain chemistry, the reaction between OH and CO in the presence of H3O+ was studied and compared with the potential energy surface without hydronium present, which is relevant to chemistry following photolysis. The differences indicate that the reaction is somewhat more likely to proceed to products (H + CO2) in the case of photoionization.

Woon, David E.↗
DOE OSTI2021

Comprehensive process and environmental impact analysis of integrated DBD plasma steam methane reforming

Utilization of electricity generated from renewable sources to obtain hydrogen, H 2 , is of critical importance to decrease the overall carbon footprint. Here in this work, integration of a dielectric discharge barrier (DBD) plasma reactor to convert low calorific value gas, such as landfill gas or coal mine gas into hydrogen, into the existing steam methane reforming (SMR) technology was evaluated using process design considerations. In particular, a DBD-enhanced catalytic SMR reactor was modeled to operate at near atmospheric pressure and 500 °C sequentially with the conventional reformer to obtain ~ 65 kmol/hr H2 for distributed production. This allowed decreasing the size of the conventional reformer albeit at the increased overall electricity consumption. Calculated process economics showed that only at an electricity cost of less than $0.004/kWh does the hybrid DBD plasma process derived H 2 price become competitive with that of the conventional SMR. A Life Cycle Assessment framework was used to compare environmental impacts from the conventional SMR, hybrid DBD SMR and hybrid DBD SMR utilizing only onshore wind-derived electricity. Larger environmental impacts in the plasma reformer were obtained due to the use of electricity for the plasma reforming operation, which was modeled as coming from the typical U.S. grid mix. Utilizing only 100% wind-derived electricity provided certain environmental benefits, except for the ecotoxicity impact where the wind power scenario modeled here only reduced ecotoxicity impacts associated with electricity by 30%.

08 HYDROGEN↗