Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “electrochemical simulation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3

Physical/chemical closed-loop water-recycling for long-duration missions

Water needs, water sources, and means for recycling water are examined in terms appropriate to the water quality requirements of a small crew and spacecraft intended for long duration exploration missions. Inorganic, organic, and biological hazards are estimated for waste water sources. Sensitivities to these hazards for human uses are estimated. The water recycling processes considered are humidity condensation, carbon dioxide reduction, waste oxidation, distillation, reverse osmosis, pervaporation, electrodialysis, ion exchange, carbon sorption, and electrochemical oxidation. Limitations and applications of these processes are evaluated in terms of water quality objectives. Computerized simulation of some of these chemical processes is examined. Recommendations are made for development of new water recycling technology and improvement of existing technology for near term application to life support systems for humans in space. The technological developments are equally applicable to water needs on earth, in regions where extensive water ecycling is needed or where advanced water treatment is essential to meet EPA health standards.

Herrmann, Cal C.↗

Advances in Studies of Electrode Kinetics and Mass Transport in AMTEC Cells (abstract)

Previous work reported from JPL has included characterization of electrode kinetics and alkali atom transport from electrodes including Mo, W, WRh(sub x), WPt(sub x)(Mn), in sodium AMTEC cells and vapor exposure cells, and Mo in potassium vapor exposure cells. These studies were generally performed in cells with small area electrodes (about 1 to 5 cm(sup 2)), and device geometry had little effect on transport. Alkali diffusion coefficients through these electrodes have been characterized, and approximate surface diffusion coefficients derived in cases of activated transport. A basic model of electrode kinetic at the alkali metal vapor/porous metal electrode/alkali beta'-alumina solid electrolyte three phase boundary has been proposed which accounts for electrochemical reaction rates with a collision frequency near the three phase boundary and tunneling from the porous electrode partially covered with adsorbed alkali metal atoms. The small electrode effect in AMTEC cells has been discussed in several papers, but quantitative investigations have described only the overall effect and the important contribution of electrolyte resistance. The quantitative characterization of transport losses in cells with large area electrodes has been limited to simulations of large area electrode effects, or characterization of transport losses from large area electrodes with significant longitudinal temperature gradients. This paper describes new investigations of electrochemical kinetics and transport, particularily with WPt(sub 3.5) electrodes, including the influence of electrode size on the mass transport loss in the AMTEC cell. These electrodes possess excellent sodium transport properties making verification of device limitations on transport much more readily attained.

electrode kinetics alkali atom transport transport↗

Advances in Studies of Electrode Kinetics and Mass Transport in AMTEC Cells

Previous work reported from JPL has included characterization of electrode kinetics and alkali atom transport from electrodes including Mo, W, WRh x (Mn), in sodium AMTEC cells and vapor exposure cells; and Mo in potassium vapor exposure cells. These studies were generally performed in cells with small area electrodes (about 1 to 5 cm 2 ), and device geometry had little effect on transport. Alkali metal diffusion coefficients through these electrodes have been characterized, and approximate surface diffusion coefficients were derived in cases of activated transport. A basic model of electrode kinetics and transport at the alkali metal vapor/pourous metal electrode/alkali beta"-alumina solid electrolyte (BASE) three phase boundary has been proposed which accounts for electrochemical reaction rates with a collision frequency near the three phase boundary and tunneling from the porous electrode partially covered with adsorbed alkali metal atoms. The small electrode effect in AMTEC cells has been discussed in several papers, but quantitative investigations have described only the overall effect and the important contribution of electrolyte resistance. The quantitative characterization of transport losses in cells with large area electrodes has been limited to simulations of large area electrode effects, or characterization of transport losses from large area electrodes with significant longitudinal temperature gradients. This paper describes new investigations of electrochemical kinetics and transport, with four 14.4 cm 2 WPt 3.5 electrodes, including the influence of electrode size on the mass transport loss in the AMTEC cell. These electrodes exhibit very slow sintering, as well as excellent sodium transport properties, making them attractive candidates for AMTEC power conversion use. However, the facile sodium transport in WPt 3.5 electrodes makes characterization of the transport process difficult.

electrode↗

Stress corrosion cracking of titanium alloys

Experiments were conducted to study (1) the basic electrochemical behavior of titanium in acid chloride solutions and (2) the response of the metal to dynamic straining in the same evironment. The aim of this group of experiments was to simulate, as nearly as possible, the actual conditions which exist at the tip of a crack. One of the foremost theories proposed to explain the propagation of stress corrosion cracks is a hydrogen embrittlement theory involving the precipitation of embrittling titanium hydrides inside the metal near the crack tip. An initial survey of the basic electrochemical literature indicated that surface hydrides play a critical role in the electrochemistry of titanium in acid solutions. A comprehensive analysis of the effect of surface films, particularly hydrides, on the electrochemical behavior of titanium in these solution is presented.

May, R. C.↗

A Multi-Physics Study on High-Specific Power Li-O2 Batteries for Electric Aircraft

Commercialization of lithium-air batteries faces many challenges, such as electrolyte decomposition, short cycle life, low energy and power density, etc. However, commercialization of Li-O2 batteries for aeronautics is much more challenging due to additional safety constraints on cyclability and performance (high specific power and specific energy). For this presentation, we will discuss inter-related aspects of physics-based modeling of a pack: cell and battery model calibration. In addition, we will evaluate and present optimal battery designs for high discharge current density, high discharge time, and low battery mass using simulation-based optimization.The Finite Element Model (FEM) used to simulate a Li-O2 cell is based on the work of Bevara [1]. The different aspects of the model are based on: porous electrode theory and concentrated electrolyte theory; quantum tunneling model for the resistance of conformal layer of discharge product (Li2O2) [1]; Butler-Volmer kinetics for electrochemical reaction; Fick's diffusion for oxygen transport; and an oxygen dissolution model is applied at the air/electrolyte interface [2]. The electrolyte properties such as ion conductivity, ion diffusion, oxygen diffusion, and mass density of the electrolyte were taken from Molecular Dynamics (MD) simulations [3]; while the other model parameters, which includes mass of cell components, were calibrated to match experiments at high discharge current densities. The cell mass includes the anode, cathode, separator, electrolyte, and other components (such as current collector). This calibrated model is used to perform parametric studies on cathode thickness, porosity, tortuosity, carbon particle size, electrolyte transport and material properties, partial pressure of oxygen, discharge time, and discharge current density to study optimal designs for high specific power and energy. References:1. Bevara, V. & Andrei, P. (2014), J. Electrochem. Soc. 161 (14), A2068-A2079.2.Mehta, M. & Andrei, P. (2015), J. Power Sources. 286, 299-308.3.Liyana-Arachchi, T.; Haskins, J.; Burke, C.; Diederichsen, K.; McCloskey, B.; & Lawson, J. (2018), J. Phys. Chem. B. 122 (36), 8548 - 8559.4.Choi, W.; Kikumoto, H.; Choudhary, R. & Ooka, R. (2018), Applied Energy, 209, 306-321.

Mehta, Mohit↗

Anion-Assisted Delivery of Multivalent Cations to Inert Electrodes

To understand and control key electrochemical processes - metal plating, corrosion, intercalation, etc. requires molecular-scale details of the active species at electrochemical interfaces and their mechanisms for de-solvation from the electrolyte. Using free energy sampling techniques we reveal the interfacial speciation of divalent cations in ether-based electrolytes and mechanisms for their delivery to an inert graphene electrode interface. Surprisingly, we find that anion solvophobicity drives a high population of anion-containing species to the interface that facilitate the delivery of divalent cations, even to negatively charged electrodes. Our simulations indicate that cation desolvation is greatly facilitated by cation-anion coupling. We propose anion solvophobicity as a molecular-level descriptor for rational design of electrolytes with increased efficiency for electrochemical processes limited by multivalent cation desolvation.

Electrochemical interfaces↗

A numerical and experimental investigation of electrochemical aircraft deicing

This study was composed of three parts. The first part involved the extension of an existing transient two dimensional numerical code for an electrothermal deicer so that it would simulate the situation where a variable thickness ice layer existed at the outer surface. The Enthalpy Method was used to simulate the phase change, and Gauss-Seidel iteration was used to solve the resulting system of finite difference equations. A set of criteria were developed for determining when a variable thickness ice layer had an effect on deicer performance. The second part was the acquisition and analysis of experimental data. The test model was a section of a Bell UH-1H helicopter blade equipped with an electrothermal deicer. A total of fifty-two thermocouples were utilized to document the thermal response of the blade and decier assembly. In the deicing runs, the experimental temperature response data clearly showed when melting, shedding or refreezing occurred. The tests illustrated that the criterion for shedding in the three cases where it did occur was that the abrasion shield interface temperature was 32 to 34 F. The third part concerned the validation of a one dimensional transient thermal model of an electrothermal deicer by comparison of the predictions with the experimental data. The Enthalpy Method was found to effectively model the phase change which occurred, and the ice shedding algorithm employed in the simulation was also evaluated.

Leffel, K. L.↗

Regenerative Fuel Cell Test Rig at Glenn Research Center

The regenerative fuel cell development effort at Glenn Research Center (GRC) involves the integration of a dedicated fuel cell and electrolyzer into an energy storage system test rig. The test rig consists of a fuel cell stack, an electrolysis stack, cooling pumps, a water transfer pump, gas recirculation pumps, phase separators, storage tanks for oxygen (O2) and hydrogen (H2), heat exchangers, isolation valves, pressure regulators, interconnecting tubing, nitrogen purge provisions, and instrumentation for control and monitoring purposes. The regenerative fuel cell (RFC) thus formed is a completely closed system which is capable of autonomous cyclic operation. The test rig provides direct current (DC) load and DC power supply to simulate power consumption and solar power input. In addition, chillers are used as the heat sink to dissipate the waste heat from the electrochemical stack operation. Various vents and nitrogen (N2) sources are included in case inert purging is necessary to safe the RFC test rig.

Chang, Bei-Jiann↗

NASA Tech Briefs, October 2010

Topics covered include: Hybrid Architecture Active Wavefront Sensing and Control; Carbon-Nanotube-Based Chemical Gas Sensor; Aerogel-Positronium Technology for the Detection of Small Quantities of Organic and/or Toxic Materials; Graphene-Based Reversible Nano-Switch/Sensor Schottky Diode; Inductive Non-Contact Position Sensor; High-Temperature Surface-Acoustic-Wave Transducer; Grid-Sphere Electrodes for Contact with Ionospheric Plasma; Enabling IP Header Compression in COTS Routers via Frame Relay on a Simplex Link; Ka-Band SiGe Receiver Front-End MMIC for Transponder Applications; Robust Optimization Design Algorithm for High-Frequency TWTs; Optimal and Local Connectivity Between Neuron and Synapse Array in the Quantum Dot/Silicon Brain; Method and Circuit for In-Situ Health Monitoring of Solar Cells in Space; BGen: A UML Behavior Network Generator Tool; Platform for Post-Processing Waveform-Based NDE; Electrochemical Hydrogen Peroxide Generator; Fabrication of Single, Vertically Aligned Carbon Nanotubes in 3D Nanoscale Architectures; Process to Create High-Fidelity Lunar Dust Simulants; Lithium-Ion Electrolytes Containing Phosphorous-Based, Flame-Retardant Additives; InGaP Heterojunction Barrier Solar Cells; Straight-Pore Microfilter with Efficient Regeneration; Determining Shear Stress Distribution in a Laminate; Self-Adjusting Liquid Injectors for Combustors; Handling Qualities Prediction of an F-16XL-Based Reduced Sonic Boom Aircraft; Tele-Robotic ATHLETE Controller for Kinematics - TRACK; Three-Wheel Brush-Wheel Sampler; Heterodyne Interferometer Angle Metrology; Aligning Astronomical Telescopes via Identification of Stars; Generation of Optical Combs in a WGM Resonator from a Bichromatic Pump; Large-Format AlGaN PIN Photodiode Arrays for UV Images; Fiber-Coupled Planar Light-Wave Circuit for Seed Laser Control in High Spectral Resolution Lidar Systems; On Calculating the Zero-Gravity Surface Figure of a Mirror; Optical Modification of Casimir Forces for Improved Function of Micro- and Nano-Scale Devices; Analysis, Simulation, and Verification of Knowledge-Based, Rule-Based, and Expert Systems; Core and Off-Core Processes in Systems Engineering; Digital Reconstruction Supporting Investigation of Mishaps; and Template Matching Approach to Signal Prediction.

Source record↗

Encapsulants And Corrosion In Photovoltaic Modules

Paper reports studies of effects of moisture on photovoltaic modules, presenting data useful in further quantitative studies of such phenomena. Measured data used in computer simulation of two-dimensional conduction to analyze ionic-conduction characteristics of PVB- and EVA-encapsulated modules. Notes encapsulant plays important role in electrochemical processes in photovoltaic module. Indicates how variations in design parameters affect levels of leakage currents in modules. Points out likely leakage-current paths in modules at various temperatures and humidities. Compares results of field and laboratory tests of same specimens and notes greater severity of outdoor environment.

Mon, Gordon R.↗

Performance of a Regenerative Fuel Cell System for the Lunar Surface

Regenerative fuel cells (RFCs) are an attractive energy storage solution for lunar missions as a technology capable of providing a higher specific energy (i.e., W∙h/kg) than state-of-the-art packaged Li-ion battery systems. An RFC consists of the (1 & 2) electrochemical stacks (chemical to electrical energy conversion to supply electricity to an external load, i.e. the fuel cell reaction, and electrical to chemical energy conversion of supplied electrical power to dissociate water into hydrogen and oxygen gases, i.e. water electrolysis), (3) fluidic conditioning, (4) reactant storage, (5) avionics, (6) power management and distribution (PMAD), and (7) thermal management. NASA’s Glenn Research Center has designed, assembled, and tested a breadboard RFC sys-tem capable of operating autonomously for multiple simulated lunar day/night cycles in a laboratory environment. The system is comprised of a non-flow through proton exchange membrane (PEM) fuel cell stack and a liquid-anode feed PEM electrolyzer (EZ) stack designed to electrochemically compress the reactants at balanced pressures up to 12.4 MPa (1800 psia). The fluidic conditioning, avionics, PMAD, and thermal management sub-systems are largely comprised of commercial-off-the-shelf components for this system-level development effort. The hardware is controlled by a CubeSat space processor running an operational program based on core flight architecture that can control the RFC hardware autonomously through a state machine with fault monitoring. The testing results highlighted here were completed with the system in an open-loop configuration such that reactants generated through water electrolysis were vented while gas cylinders supplied fuel cell operation. The breadboard operated autonomously, but there were five unplanned transitions to a safe state that required a manual restart after reviewing the data, determining a root cause, and implementing a solution. Four of the transitions were caused by the thermal management subsystem and the fifth was caused by a water management control issue in the EZ sub-system. The RFC system operated for over 550 hours with the final cycle being slightly abbreviated due to reasons unrelated to system performance.

Kerrigan Cain↗

Performance of a Regenerative Fuel Cell System for the Lunar Surface

Regenerative fuel cells (RFCs) are an attractive energy storage solution for lunar missions as a technology capable of providing a higher specific energy (i.e., W∙h/kg) than state-of-the-art packaged Li-ion battery systems. An RFC consists of the (1 & 2) electrochemical stacks (chemical to electrical energy conversion to supply electricity to an external load, i.e. the fuel cell reaction, and electrical to chemical energy conversion of supplied electrical power to dissociate water into hydrogen and oxygen gases, i.e. water electrolysis), (3) fluidic conditioning, (4) reactant storage, (5) avionics, (6) power management and distribution (PMAD), and (7) thermal management. NASA’s Glenn Research Center has designed, assembled, and tested a breadboard RFC sys-tem capable of operating autonomously for multiple simulated lunar day/night cycles in a laboratory environment. The system is comprised of a non-flow through proton exchange membrane (PEM) fuel cell stack and a liquid-anode feed PEM electrolyzer (EZ) stack designed to electrochemically compress the reactants at balanced pressures up to 12.4 MPa (1800 psia). The fluidic conditioning, avionics, PMAD, and thermal management sub-systems are largely comprised of commercial-off-the-shelf components for this system-level development effort. The hardware is controlled by a CubeSat space processor running an operational program based on core flight architecture that can control the RFC hardware autonomously through a state machine with fault monitoring. The testing results highlighted here were completed with the system in an open-loop configuration such that reactants generated through water electrolysis were vented while gas cylinders supplied fuel cell operation. The breadboard operated autonomously, but there were five unplanned transitions to a safe state that required a manual restart after reviewing the data, determining a root cause, and implementing a solution. Four of the transitions were caused by the thermal management subsystem and the fifth was caused by a water management control issue in the EZ sub-system. The RFC system operated for over 550 hours with the final cycle being slightly abbreviated due to reasons unrelated to system performance.

Kerrigan Cain↗

The electrochemical generation of useful chemical species from lunar materials

The current status of work on an electrochemical technology for the simultaneous generation of oxygen and lithium from a Li2O containing molten salt (Li2O-LiCl-LiF) is discussed. The electrochemical cell utilizes an oxygen vacancy conducting solid electrolyte, yttria-stabilized zirconia, to effect separation between the oxygen evolving and lithium reduction half-cell reactions. The cell, which operates at 700 to 800 C, possesses rapid electrode kinetics at the lithium-alloy electrode with exchange current density values being greater than 60 mA/sq cm, showing high reversibility for this reaction. When used in the electrolytic mode, lithium produced at the negative electrode would be continuously removed from the cell for later use (under lunar conditions) as an easily storable reducting agent (compared to H2) for the chemical refining of lunar ores via the general reaction: 2Li + MO yields Li2O + M where MO represents a lunar ore. Emphasis to this time has been on the simulated lunar ore ilmenite (FeTiO3), which we have found becomes chemically reduced by Li at 432 C. Furthermore, both Fe2O3 and TiO2 have been reduced by Li to give the corresponding metal. This electrochemical approach provides a convenient route for producing metals under lunar conditions and oxygen for the continuous maintenance of human habitats on the Moon's surface. Because of the high reversibility of this electrochemical system, it has also formed the basis for the lithium-oxygen secondary battery. This secondary lithium-oxygen battery system posses the highest theoretical energy density yet investigated.

Tsai, Kan J.↗

Progress towards computer simulation of NiH2 battery performance over life

The long-term performance of rechargeable battery cells has traditionally been verified through life-testing, a procedure that generally requires significant commitments of funding and test resources. In the situation of nickel hydrogen battery cells, which have the capability of providing extremely long cycle life, the time and cost required to conduct even accelerated testing has become a serious impediment to transitioning technology improvements into spacecraft applications. The utilization of computer simulations to indicate the changes in performance to be expected in response to design or operating changes in nickel hydrogen cells is therefore a particularly attractive tool in advanced battery development, as well as for verifying performance in different applications. Computer-based simulations of the long-term performance of rechargeable battery cells have typically had very limited success in the past. There are a number of reasons for the lack in progress in this area. First, and probably most important, all battery cells are relatively complex electrochemical systems, in which performance is dictated by a large number of interacting physical and chemical processes. While the complexity alone is a significant part of the problem, in many instances the fundamental chemical and physical processes underlying long-term degradation and its effects on performance have not even been understood. Second, while specific chemical and physical changes within cell components have been associated with degradation, there has been no generalized simulation architecture that enables the chemical and physical structure (and changes therein) to be translated into cell performance. For the nickel hydrogen battery cell, our knowledge of the underlying reactions that control the performance of this cell has progressed to where it clearly is possible to model them. The recent development of a relative generalized cell modelling approach provides the framework for translating the chemical and physical structure of the components inside a cell into its performance characteristics over its entire cycle life. This report describes our approach to this task in terms of defining those processes deemed critical in controlling performance over life, and the model architecture required to translate the fundamental cell processes into performance profiles.

Zimmerman, Albert H.↗

Electrochemical Impedance Spectroscopy of Conductive Polymer Coatings

Electrochemical impedance spectroscopy (EIS) was used to investigate the corrosion protection performance of twenty nine proprietary conductive polymer coatings for cold rolled steel under immersion in 3.55 percent NaCl. Corrosion potential as well as Bode plots of the data were obtained for each coating after one hour immersion, All coatings, with the exception of one, have a corrosion potential that is higher in the positive direction than the corrosion potential of bare steel under the same conditions. Group A consisted of twenty one coatings with Bode plots indicative of the capacitive behavior characteristic of barrier coatings. An equivalent circuit consisting of a capacitor in series with a resistor simulated the experimental EIS data for these coatings very well. Group B consisted of eight coatings that exhibited EIS spectra showing an inflection point which indicates that two time constants are present. This may be caused by an electrochemical process taking place which could be indicitive of coating failing. These coatings have a lower impedance that those in Group A.

Calle, Luz Marina↗

Space Vehicle Power System Comprised of Battery/Capacitor Combinations

Recent improvements in energy densities of batteries open the possibility of using electric rather that hydraulic actuators in space vehicle systems. However, the systems usually require short-duration, high-power pulses. This power profile requires the battery system to be sized to meet the power requirements rather than stored energy requirements, often resulting in a large and inefficient energy storage system. Similar transient power applications have used a combination of two or more disparate energy storage technologies. For instance, placing a capacitor and a battery side-by-side combines the high energy density of a battery with the high power performance of a capacitor and thus can create a lighter and more compact system. A parametric study was performed to identify favorable scenarios for using capacitors. System designs were then carried out using equivalent circuit models developed for five commercial electrochemical capacitor products. Capacitors were sized to satisfy peak power levels and consequently "leveled" the power requirement of the battery, which can then be sized to meet system energy requirements. Simulation results clearly differentiate the performance offered by available capacitor products for the space vehicle applications.

Camarotte, C.↗

Hypersonic Composites Resist Extreme Heat and Stress

Through research contracts with NASA, Materials and Electrochemical Research Corporation (MER), of Tucson, Arizona, contributed a number of technologies to record-breaking hypersonic flights. Through this research, MER developed a coating that successfully passed testing to simulate Mach 10 conditions, as well as provide several additional carbon-carbon (C-C) composite components for the flights. MER created all of the leading edges for the X-43A test vehicles at Dryden-considered the most critical parts of this experimental craft. In addition to being very heat resistant, the coating had to be very lightweight and thin, as the aircraft was designed to very precise specifications and could not afford to have a bulky coating. MER patented its carbon-carbon (C-C) composite process and then formed a spinoff company, Frontier Materials Corporation (FMC), also based in Tucson. FMC is using the patent in conjunction with low-cost PAN (polyacrylonitrile)-based fibers to introduce these materials to the commercial markets. The C-C composites are very lightweight and exceptionally strong and stiff, even at very high temperatures. The composites have been used in industrial heating applications, the automotive and aerospace industries, as well as in glass manufacturing and on semiconductors. Applications also include transfer components for glass manufacturing and structural members for carrier support in semiconductor processing.

Source record↗