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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Flight contaminant trace analyser. Phase 1: Chromatographic input system

The development of a chromatographic column capable of resolving compounds associated with spacecraft atmospheres is presented. Consideration is given to sampling techniques, column parameters and operation, and column interface with a mass spectrometer. A capillary column coated with a mixture of polyalkylene glycols is found to provide the best selectivity for resolving multicomponent mixtures found in spacecraft atmospheres. Temperature programming and isothermal operation of the column are evaluated and it is found that temperature programming has a shorter analysis time for a given carrier gas flow rate and overall superior resolution. It is observed that hydrogen provides a 15% savings in analysis time over helium. Following the optimization of column operational parameters, a mixed phase Ucon capillary is prepared for evaluation during the column test period in which the test sample is automatically analyzed. Analysis of the multicomponent test mixture is completed within 45 minutes provided temperature programming is used. All but two of the test compounds are well resolved.

Source record↗
DOE OSTI2025

Simulated Moving Bed Process for CO 2 Capture from Humid Postcombustion Flue Gases Using MUF-16

Simulated moving bed (SMB) designs are increasingly being adapted for the separation of multicomponent gaseous mixtures. In this work, we develop a modified SMB process for capturing CO 2 from humid postcombustion flue gas using MUF-16 (MUF = Massey University Framework). MUF-16 shows excellent selectivity for CO 2 over N 2 , moderate heats of adsorption for CO 2 and H 2 O, and no competitive sorption of CO 2 over water at relative humidities relevant to postcombustion capture. We utilize these characteristics to propose a continuous process that uses N 2 from the feed as the desorbent for the water, eliminating the need for a separate desiccant bed and allowing for localized heating during desorption for H 2 O-saturated MOF beds. Single-component isotherms, single-column breakthrough experiments, and SO 2 stability tests suggest the excellent suitability of MUF-16 to this separation via the proposed SMB design.

CO2 capture from humid flue gas↗
NASA NTRS1992

Combustion of LOX with H2(sub g) under subcritical, critical, and supercritical conditions and experimental observation of dense spray and mixing of impinging jets

Progress made during the period of February 1 to October 15, 1992 is reported. The overall objective of Task 1 of the investigation is to achieve a better understanding of the combustion processes of liquid oxygen and gaseous hydrogen under subcritical, critical, and supercritical conditions. Specific objectives of the research program are: (1) to determine the evaporation- and burning-rate characteristics of LOX in hydrogen/helium environments under broad ranges of operating conditions; (2) to measure species concentration profile and surface temperature of LOX employing the gas chromatography and fine-wire thermocouples under non-reacting flow situations; (3) to perform a fugacity-based multicomponent thermodynamic phase equilibrium analysis for examining the high-pressure vapor-liquid equilibrium behavior at the liquid surface of LOX; (4) to formulate and solve a theoretical model for simulating the evaporation and combustion processes in a LOX/H2/He system; and (5) to validate the theoretical model with the measured experimental data. Task 2 of the investigation is described. Observation of a like-on-like injector element in the near-injector region performed in the previous phase of this project has identified the existence of a high Reynolds number regime in which the pre-impingement jets are fully turbulent and undergoing surface breakup. The new spray regime, which has not been observed by previous investigators, is characterized by the presence of many fine droplets and the disappearance of the well-defined liquid breakup wave pattern in the post-impingement region. It is speculated that a cavitating region may be present within the orifice so that it could induce strong turbulence, leading to an onset of atomization of the jets prior to impingement. To further investigate the dense spray behavior of the impinging jets in the high Reynolds number region, experiments were conducted using Plexiglas injector components for direct internal flow observation. The main objective is to determine under what conditions a cavitating region would form and whether or not the cavitation is reponsible for the development of the high Reynolds number spray regime. The procedure and major findings of the injector cavitation study are described.

Kuo, Kenneth K.↗
NASA NTRS2006

Scalar Dissipation Modeling for Passive and Active Scalars: a priori Study Using Direct Numerical Simulation

Transitional databases from Direct Numerical Simulation (DNS) of three-dimensional mixing layers for single-phase flows and two-phase flows with evaporation are analyzed and used to examine the typical hypothesis that the scalar dissipation Probability Distribution Function (PDF) may be modeled as a Gaussian. The databases encompass a single-component fuel and four multicomponent fuels, two initial Reynolds numbers (Re), two mass loadings for two-phase flows and two free-stream gas temperatures. Using the DNS calculated moments of the scalar-dissipation PDF, it is shown, consistent with existing experimental information on single-phase flows, that the Gaussian is a modest approximation of the DNS-extracted PDF, particularly poor in the range of the high scalar-dissipation values, which are significant for turbulent reaction rate modeling in non-premixed flows using flamelet models. With the same DNS calculated moments of the scalar-dissipation PDF and making a change of variables, a model of this PDF is proposed in the form of the (beta)-PDF which is shown to approximate much better the DNS-extracted PDF, particularly in the regime of the high scalar-dissipation values. Several types of statistical measures are calculated over the ensemble of the fourteen databases. For each statistical measure, the proposed (beta)-PDF model is shown to be much superior to the Gaussian in approximating the DNS-extracted PDF. Additionally, the agreement between the DNS-extracted PDF and the (beta)-PDF even improves when the comparison is performed for higher initial Re layers, whereas the comparison with the Gaussian is independent of the initial Re values. For two-phase flows, the comparison between the DNS-extracted PDF and the (beta)-PDF also improves with increasing free-stream gas temperature and mass loading. The higher fidelity approximation of the DNS-extracted PDF by the (beta)-PDF with increasing Re, gas temperature and mass loading bodes well for turbulent reaction rate modeling.

scalar dissipation modeling↗
DOE OSTI2025

Synthesis of multicomponent oxygen evolution reaction coatings via block copolymer templating with vapor- and solution-phase precursors

Porous mixed transition metal oxide heterostructures are promising electrocatalysts due to their high surface area. However, achieving conformal multicomponent oxide coatings with controlled nanoscale architectures remains challenging. Here, we report a synthesis strategy that integrates solution-based swelling infiltration (SBI) with gas-phase sequential infiltration synthesis (SIS) in a block copolymer template to fabricate porous, high-surface-area, conformal mixed-oxide electrocatalytic coatings. In this approach, a PS75-P4VP25 block copolymer (BCP) film is first infiltrated with transition metal acetylacetonate precursors via SBI, followed by exposure to gas phase precursors of ZnO via SIS process. Thermal annealing of the infiltrated BCP films converts them into all-inorganic Fe–ZnO, Fe–Co–ZnO, and Fe–Ni–ZnO coatings. Electrochemical testing on 70 nm thick conformal coatings demonstrates promising oxygen evolution reaction (OER) activity in alkaline media, with mass-specific current densities up to 1.0 × 10 5 mA/g at an overpotential of 330 mV (vs. RHE) at ultralow loading (~0.005 g/cm 2 ). Among the compositions, Fe–Co–ZnO and amorphous Fe–Ni–ZnO show the best OER performance, delivering current densities of 2.00 and 3.04 mA/cm 2 , respectively, compared to 1.52 mA/cm 2 for Fe–ZnO.. This work establishes SBI–SIS as a versatile route for fabricating nm-thin, high-performance multicomponent oxide heterostructures on cost-efficient supports, enabling efficient catalyst utilization in electrochemical energy conversion application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

A new PNS code for chemical nonequilibrium flows

A new parabolized Navier-Stokes (PNS) code has been developed to compute the hypersonic laminar flow of a multicomponent, chemically reacting mixture of thermally perfect gases over two-dimensional and axisymmetric bodies. The new PNS code solves the gas dynamic and species conservation equations in a coupled manner using a noniterative, implicit, space-marching finite-difference method. The conditions for well-posedness of the space-marching method have been derived from an eigenvalue analysis of the governing equations. The code has been used to compute hypersonic laminar flow of chemically reacting air over wedges and cones. The results of these computations are in good agreement with the results of reacting boundary-layer calculations.

Prabhu, D. K.↗
DOE OSTI2021

High-Accuracy Simulations to Model Pyrometallurgical Processes in a Secondary Lead Reverberatory Furnace

The US manufacturing industry produces about 1.3 million tons of refined lead each year using secondary sources consisting mainly of lead batteries. ORNL is partnering with Gopher resource, the second largest lead recycling company in the United States, and GTI, to develop a high-fidelity CFD model of a directly fired, reverberatory-style, secondary lead furnace. These High Performance Computing (HPC) simulations are aimed to use first principles modeling for combustion and melting processes of the secondary lead feed while accounting for complex interphase interactions between the gas, solid charge (lead) material, slag, and metal phases. Through validation against operating plant data, this effort will enable significant improvements in design, operational parameters, and energy efficiency, thus improving productivity and refractory lifetime of secondary lead melting furnaces. Estimated savings/reduction of, at least, 1 trillion BTU, 1 million ton/year of greenhouse gas emissions, and $\$50$ million/year to the US lead industry can be expected. ORNL resources and expertise in high-performance computing and multicomponent, multiphase flows were utilized to realize this goal while advancing the understanding of the smelting and melting processes occurring within the furnace.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1984

Experimental and theoretical deposition rates from salt-seeded combustion gases of a Mach 0.3 burner rig

Deposition rates on platinum-rhodium cylindrical collectors rotating in the cross streams of the combustion gases of a salt-seeded Mach 0.3 burner rig were determined. The collectors were internally air cooled so that their surface temperatures could be widely varied while they were exposed to constant combustion gas temperatures. The deposition rates were compared with those predicted by the chemically frozen boundary layer (CFBL) computer program, which is based on multicomponent vapor transport through the boundary layer. Excellent agreement was obtained between theory and experiment for the NaCl-seeded case, but the agreement lessened as the seed was changed to synthetic sea salt, NaNO3, and K2SO4, respectively, and was particularly poor in the case of Na2SO4. However, when inertial impaction was assumed to be the deposition mechanism for the Na2SO4 case, the predicted rates agreed well with the experimental rates. The former were calculated from a mean particle diameter that was derived from the measured intial droplet size distribution of the solution spray. Critical experiments showed that liquid phase deposits were blown off the smooth surface of the platinum-rhodium collectors by the aerodynamic shear forces of the high-velocity combustion gases but that rough or porous surfaces retained their liquid deposits.

Santoro, G. J.↗
NASA NTRS1991

The analysis of apparent optical depth profiles for interstellar absorption lines

Attention is given to the apparent optical depth method, a procedure for analyzing interstellar absorption lines. Observed absorption-line profiles are converted into profiles of apparent optical depth, and apparent column density per unit velocity. By comparing the latter for a given interstellar species having two or more absorption lines which differ in the product, the presence or absence of unresolved saturated structure in the profiles can be directly inferred. The method is illustrated using absorption-line data from the IUE satellite for the highly ionized gas toward HD 64760. Additional illustrations and a study of the method's accuracy are provided through a series of numerical simulations of multicomponent interstellar absorption situations. The method is compared to the standard growth curve method for deriving interstellar column densities. The principal value of the apparent optical depth method is that the absorption-line data are directly converted into a form that provides for direct scientific interpretations of the physical conditions in the interstellar absorbing medium as a function of velocity.

Savage, Blair D.↗
NASA NTRS1984

Magnetohydrodynamic and gasdynamic theories for planetary bow waves

The observed properties of bow waves and the associated plasma flows are outlined, along with those features identified that can be described by a continuum magnetohydrodynamic flow theory as opposed to a more detailed multicomponent particle and field plasma theory. The primary objectives are to provide an account of the fundamental concepts and current status of the magnetohydrodynamic and gas dynamic theories for solar wind flow past planetary bodies. This includes a critical examination of: (1) the fundamental assumptions of the theories; (2) the various simplifying approximations introduced to obtain tractable mathematical problems; (3) the limitations they impose on the results; and (4) the relationship between the results of the simpler gas dynamic-frozen field theory and the more accurate but less completely worked out magnetohydrodynamic theory. Representative results of the various theories are presented and compared. A number of deficiencies, ambiguities, and suggestions for improvements are discussed, and several significant extensions of the theory required to provide comparable results for all planets, their satellites, and comets are noted.

Spreiter, J. R.↗
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↗
DOE OSTI2020

Determining Activity Coefficients of SOA from Isothermal Evaporation in a Laboratory Chamber

Nonideal molecular interactions in aerosol particles influence the partitioning of semivolatile organic compounds (SVOCs). However, few direct measurements exist that determine activity coefficients (γ), which quantify nonideality, for individual organic compounds in different atmospheric mixtures. By measuring the isothermal evaporation of SOA formed from multifunctional SVOCs in an environmental chamber, this study determines the mole-fraction-based γ of the bulk SOA in a variety of pre-existing chemically complex particles, approximated as if the bulk SOA behaved like a single SVOC. These multicomponent mixtures contain molecular structures commonly found in the atmosphere. When treated as a single liquid phase, γ of the bulk SOA tends to increase from ~1 to ~5 as the organic seeds and the SOA have more differing polarities. A high computed γ value of 74 for a wet ammonium sulfate-SOA system indicates phase separation. The γ for some individual species was also quantified based on gas-phase measurements and AIOMFAC model predictions. However, the bulk SOA γ cannot be explained by the simplified speciated SVOC–seed interactions, suggesting incomplete compositional understanding of the bulk SOA. In this work, these results demonstrate a method to quantify nonideal behavior and show that it can occur in multicomponent mixtures and therefore influence OA formation, evolution, and lifetimes.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1982

Analytical modeling of operating characteristics of premixing-prevaporizing fuel-air mixing passages. Volume 1: Analysis and results

A model for predicting the distribution of liquid fuel droplets and fuel vapor in premixing-prevaporizing fuel-air mixing passages of the direct injection type is reported. This model consists of three computer programs; a calculation of the two dimensional or axisymmetric air flow field neglecting the effects of fuel; a calculation of the three dimensional fuel droplet trajectories and evaporation rates in a known, moving air flow; a calculation of fuel vapor diffusing into a moving three dimensional air flow with source terms dependent on the droplet evaporation rates. The fuel droplets are treated as individual particle classes each satisfying Newton's law, a heat transfer, and a mass transfer equation. This fuel droplet model treats multicomponent fuels and incorporates the physics required for the treatment of elastic droplet collisions, droplet shattering, droplet coalescence and droplet wall interactions. The vapor diffusion calculation treats three dimensional, gas phase, turbulent diffusion processes. The analysis includes a model for the autoignition of the fuel air mixture based upon the rate of formation of an important intermediate chemical species during the preignition period.

Anderson, O. L.↗
NASA NTRSDate not supplied

Modeling of Multicomponent Trace Contaminant Adsorption on Activated Carbon

Modeling of multicomponent trace contaminant adsorption on activated carbon for spacecraft life support applications presents challenges due to the very low contaminant concentrations in cabin air coupled with very strong adsorption of heavier components such as cyclic polydimethylsiloxanes. Both gas-phase and solid-phase micropore mass transfer resistances can be important, and competitive interactions between adsorbed components can result in behavior such as roll-up where lighter components displaced by heavier components have a higher concentration at the outlet than at the inlet. This paper describes the further development of a dynamic trace contaminant adsorption model based on Ideal Adsorbed Solution Theory (IAST). Alternative 1-dimensional and 2-dimensional versions of the model are described with different mass transfer resistance and driving force assumptions. Optimization of solution methods for speed and stability is also described. Mass balance equations are scaled to provide sensitivity over the wide range of component concentrations in cabin air. Model parameters are estimated from isotherm and breakthrough test data on single adsorbate and binary adsorbate systems. Multicomponent results are compared against predictions of a heritage model used extensively by NASA for trace contaminant control system (TCCS) carbon bed sizing. Finally, efforts to implement the model in a second software platform for wider access are described.

Kevin E Lange↗