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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 NTRS2004

Minimizing Launch Mass for ISRU Processes

The University of Dayton and the Jet Propulsion Laboratory are developing a methodology for estimating the Earth launch mass (ELM) of processes for In-Situ Resource Utilization (ISRU) with a focus on lunar resource recovery. ISRU may be enabling for both an extended presence on the Moon, and for large sample return missions and for a human presence on Mars. To accomplish these exploration goals, the resources recovered by ISRU must offset the ELM for the recovery process. An appropriate figure of merit is the cost of the exploration mission, which is closely related to ELM. For a given production rate and resource concentration, the lowest ELM - and the best ISRU process - is achieved by minimizing capital equipment for both the ISRU process and energy production. ISRU processes incur Carnot limitations and second law losses (irreversibilities) that ultimately determine production rate, material utilization and energy efficiencies. Heat transfer, chemical reaction, and mechanical operations affect the ELM in ways that are best understood by examining the process's detailed energetics. Schemes for chemical and thermal processing that do not incorporate an understanding of second law losses will be incompletely understood. Our team is developing a methodology that will aid design and selection of ISRU processes by identifying the impact of thermodynamic losses on ELM. The methodology includes mechanical, thermal and chemical operations, and, when completed, will provide a procedure and rationale for optimizing their design and minimizing their cost. The technique for optimizing ISRU with respect to ELM draws from work of England and Funk that relates the cost of endothermic processes to their second law efficiencies. Our team joins their approach for recovering resources by chemical processing with analysis of thermal and mechanical operations in space. Commercial firms provide cost inputs for ELM and planetary landing. Additional information is included in the original extended abstract.

England, C.↗
NASA NTRS1995

Coupled Monte Carlo Probability Density Function/ SPRAY/CFD Code Developed for Modeling Gas-Turbine Combustor Flows

The success of any solution methodology for studying gas-turbine combustor flows depends a great deal on how well it can model various complex, rate-controlling processes associated with turbulent transport, mixing, chemical kinetics, evaporation and spreading rates of the spray, convective and radiative heat transfer, and other phenomena. These phenomena often strongly interact with each other at disparate time and length scales. In particular, turbulence plays an important role in determining the rates of mass and heat transfer, chemical reactions, and evaporation in many practical combustion devices. Turbulence manifests its influence in a diffusion flame in several forms depending on how turbulence interacts with various flame scales. These forms range from the so-called wrinkled, or stretched, flamelets regime, to the distributed combustion regime. Conventional turbulence closure models have difficulty in treating highly nonlinear reaction rates. A solution procedure based on the joint composition probability density function (PDF) approach holds the promise of modeling various important combustion phenomena relevant to practical combustion devices such as extinction, blowoff limits, and emissions predictions because it can handle the nonlinear chemical reaction rates without any approximation. In this approach, mean and turbulence gas-phase velocity fields are determined from a standard turbulence model; the joint composition field of species and enthalpy are determined from the solution of a modeled PDF transport equation; and a Lagrangian-based dilute spray model is used for the liquid-phase representation with appropriate consideration of the exchanges of mass, momentum, and energy between the two phases. The PDF transport equation is solved by a Monte Carlo method, and existing state-of-the-art numerical representations are used to solve the mean gasphase velocity and turbulence fields together with the liquid-phase equations. The joint composition PDF approach was extended in our previous work to the study of compressible reacting flows. The application of this method to several supersonic diffusion flames associated with scramjet combustor flow fields provided favorable comparisons with the available experimental data. A further extension of this approach to spray flames, three-dimensional computations, and parallel computing was reported in a recent paper. The recently developed PDF/SPRAY/computational fluid dynamics (CFD) module combines the novelty of the joint composition PDF approach with the ability to run on parallel architectures. This algorithm was implemented on the NASA Lewis Research Center's Cray T3D, a massively parallel computer with an aggregate of 64 processor elements. The calculation procedure was applied to predict the flow properties of both open and confined swirl-stabilized spray flames.

Source record↗
NASA NTRS1996

Solid Surface Combustion Experiment Completes a Series of Eight Successful Flights

The Solid Surface Combustion Experiment (SSCE) was the first combustion experiment to fly in the space shuttle and the first such experiment in the NASA spaceflight program since Skylab. SSCE was actually a series of experiments designed to begin to characterize flame spreading over solid fuels in microgravity and the differences of this flame spreading from normal gravity behavior. These experiments should lead to a better understanding of the physical processes involved--increasing our understanding of fire behavior, both in space and on Earth. SSCE results will help researchers evaluate spacecraft fire hazards. These experiments were conceived by the principal investigator, Professor Robert A. Altenkirch, Dean of Engineering at Washington State University. In the first five flights, the fuel sample--ashless filter paper instrumented with three thermocouples--was mounted in a sealed chamber filled with a 50-percent or 35-percent mixture of oxygen in nitrogen at pressures of 1.0, 1.5, and 2.0 atm. In the next three flights, a polymethyl methacrylate (plexiglass) fuel was instrumented with three thermocouples and tested in a 70-percent or 50-percent mixture of oxygen and nitrogen at pressures of 1.0 and 2.0 atm. SSCE is a self-contained, battery-operated experiment that can be flown either in the shuttle middeck or in the Spacelab module. More information about the hardware configuration have been published. This past year, the final two of eight flights were completed on STS-64 and STS-63. The NASA Lewis Research Center designed and built the SSCE payload and performed engineering, testing, scientific, and flight operations support. The SSCE project was supported in some way by nearly every major sector of Lewis' organization. Professor Altenkirch developed a numerical simulation of the flame-spreading process from first principles (of fluid mechanics, heat transfer, and reaction kinetics). The spread rates, flame shape, and thermodynamic data from the SSCE flights are being compared directly with the results of the computational model. Results from the eight flights will be used to formulate an improved solid-phase pyrolysis model. In addition, some results of the flights have been published and presented at international combustion symposiums. Additional solid fuel combustion experiments are being investigated for future tests with the existing hardware.

Source record↗
NASA NTRS1998

EUPDF: Eulerian Monte Carlo Probability Density Function Solver for Applications With Parallel Computing, Unstructured Grids, and Sprays

The success of any solution methodology used in the study of gas-turbine combustor flows depends a great deal on how well it can model the various complex and rate controlling processes associated with the spray's turbulent transport, mixing, chemical kinetics, evaporation, and spreading rates, as well as convective and radiative heat transfer and other phenomena. The phenomena to be modeled, which are controlled by these processes, often strongly interact with each other at different times and locations. In particular, turbulence plays an important role in determining the rates of mass and heat transfer, chemical reactions, and evaporation in many practical combustion devices. The influence of turbulence in a diffusion flame manifests itself in several forms, ranging from the so-called wrinkled, or stretched, flamelets regime to the distributed combustion regime, depending upon how turbulence interacts with various flame scales. Conventional turbulence models have difficulty treating highly nonlinear reaction rates. A solution procedure based on the composition joint probability density function (PDF) approach holds the promise of modeling various important combustion phenomena relevant to practical combustion devices (such as extinction, blowoff limits, and emissions predictions) because it can account for nonlinear chemical reaction rates without making approximations. In an attempt to advance the state-of-the-art in multidimensional numerical methods, we at the NASA Lewis Research Center extended our previous work on the PDF method to unstructured grids, parallel computing, and sprays. EUPDF, which was developed by M.S. Raju of Nyma, Inc., was designed to be massively parallel and could easily be coupled with any existing gas-phase and/or spray solvers. EUPDF can use an unstructured mesh with mixed triangular, quadrilateral, and/or tetrahedral elements. The application of the PDF method showed favorable results when applied to several supersonic-diffusion flames and spray flames. The EUPDF source code will be available with the National Combustion Code (NCC) as a complete package.

Raju, M. S.↗
NASA NTRS2017

Observations of VOC Emissions and Photochemical Products over US Oil- and Gas-Producing Regions Using High-Resolution H3O+ CIMS (PTR-ToF-MS)

VOCs (Volatile Organic Compounds) related to oil and gas extraction operations in the United States were measured by H3O (sup plus) chemical ionization time-of-flight mass spectrometry (H3O (sup plus) ToFCIMS/PTR-ToF-MS (Time of Flight Chemical Ionization Mass Spectrometry/Proton Transfer Reaction-Time of Flight-Mass Spectroscopy) from aircraft during the Shale Oil and Natural Gas Nexus (SONGNEX) campaign in March-April 2015. This work presents an overview of major VOC species measured in nine oil- and gas-producing regions, and a more detailed analysis of H3O (sup plus) ToF-CIMS measurements in the Permian Basin within Texas and New Mexico. Mass spectra are dominated by small photochemically produced oxygenates and compounds typically found in crude oil: aromatics, cyclic alkanes, and alkanes. Mixing ratios of aromatics were frequently as high as those measured downwind of large urban areas. In the Permian, the H3O (sup plus) ToF-CIMS measured a number of underexplored or previously unreported species, including aromatic and cycloalkane oxidation products, nitrogen heterocycles including pyrrole (C4H5N) and pyrroline (C4H7N), H2S, and a diamondoid (adamantane) or unusual monoterpene. We additionally assess the specificity of a number of ion masses resulting from H3O (sup plus) ion chemistry previously reported in the literature, including several new or alternate interpretations.

mass spectrometr↗
NASA NTRS2019

Electron Beam Welding of Pure Tungsten Hex Cans for Nuclear Thermal Propulsion Engines

Nuclear thermal propulsion (NTP) is an in-space propulsion method currently being developed at the NASA Marshall Space Flight Center (MSFC). NTP systems are a high specific impulse (750–1,100 s), high thrust (15,000–250,000 lbf ) method of propulsion which have the potential to allow for faster transit times when optimizing for high ΔV. In the nuclear rocket engine, the heat from the nuclear fission reaction is transferred to a low molecular mass propellant (such as hydrogen). Hot propellant is expanded through a nozzle to generate thrust. Development of ceramic metal (cermet) fuel systems for NTP applications is currently ongoing at MSFC. In cermet fuel systems, ceramic fissile fuel particles such as uranium nitride or uranium dioxide are dispersed within a net-shaped, high-density structural matrix. The composite material is cladded by a protective metal structure to make up an NTP fuel element. Cladding materials must be able to withstand the demanding operating conditions required of the engine as well as retain a hermetic seal to allow for retention of fuel element structural integrity, prevent hydrogen attack or migration of the ceramic fuel, and limit release of fission products during operation. For NTP applications, tungsten is a prime material for both the metal matrix and cladding in cermet fuel systems because of its high melting point, high temperature strength, and compatibility with hot hydrogen. If a weld in tungsten with the capability of holding a hermetic seal is achievable, tungsten becomes a strong candidate for NTP applications. This Technical Memorandum focuses on determining the weldability of pure tungsten using electron beam welding (EBW). Tungsten appears well suited for NTP applications, but it has a high ductile to brittle transition temperature (DBTT) dependent upon chemical composition, structure/stress distribution, and mechanical conditions. Therefore, it is highly subject to brittle fracture. Because of its high susceptibility to brittle fracture, it is very difficult to weld. EBW was chosen for joining pure tungsten because of its low heat input compared to gas tungsten arc welding. Reduced heat input can be directly correlated with an increase in ductility of a tungsten weld. EBW is a high energy density welding process in which a stream of electrons penetrates a weld joint in a deep, narrow spike in contrast to a broad gas tungsten arc weld pool. The investigation initially focused on EBW of tungsten plates of both 0.01 in and 0.03 in thickness to determine if EBW could weld pure tungsten without the presence of visual defects—particularly cracking—in the welds. Variation in the weld procedure and post-weld heat treatment (PWHT) was used to improve the surface appearance of flat EBWs on a pure tungsten sheet. The investigation moved on to weld 0.05-in-thick hexagonal tungsten cans with a weld joint thickness of 0.025 in. The goal for welding the pure tungsten hex cans was to avoid any visual surface defects and generate a weld capable of a hermetic seal. This proved difficult. Cold welds commonly exhibited porosity that leaked air. Hot welds exhibited cracks, typically observed immediately after welding. Later welds were preheated to increase ductility and decrease the likelihood of through-thickness cracking. PWHT was used to arrest microcrack growth both in the flat weld samples and hexagonal weld samples.

Courtright, Z. S.↗
NASA NTRS1982

Mass driver reaction engine characteristics and performance in earth orbital transfer missions

Configurations of a typical mass driver reaction engine (MDRE) are presented and its use for delivery of payloads to geosynchronous orbit (GEO) from low earth orbit (LEO) is discussed. Basic rocket equations are developed for LEO to GEO round-trip missions using a single exhaust velocity. It is shown that exhaust velocities in the 5-10 km/sec range (specific impulse of 500-1000 sec) are well suited for mass drivers, minimizing the overall cost of missions. Payload delivery rate fractions show that there is little to be gained by stretching out LEO to GEO transfer times from 90 to 180 days. It therefore pays to use the shorter trip time, approximately doubling the amount of delivered payload during any fixed time of use of the MDRE.

Snow, W. R.↗
NASA NTRS1995

Single-drop reactive extraction/extractive reaction with forced convective diffusion and interphase mass transfer

An algorithm has been developed for time-dependent forced convective diffusion-reaction having convection by a recirculating flow field within the drop that is hydrodynamically coupled at the interface with a convective external flow field that at infinity becomes a uniform free-streaming flow. The concentration field inside the droplet is likewise coupled with that outside by boundary conditions at the interface. A chemical reaction can take place either inside or outside the droplet, or reactions can take place in both phases. The algorithm has been implemented, and for comparison results are shown here for the case of no reaction in either phase and for the case of an external first order reaction, both for unsteady behavior. For pure interphase mass transfer, concentration isocontours, local and average Sherwood numbers, and average droplet concentrations have been obtained as a function of the physical properties and external flow field. For mass transfer enhanced by an external reaction, in addition to the above forms of results, we present the enhancement factor, with the results now also depending upon the (dimensionless) rate of reaction.

Kleinman, Leonid S.↗
NASA NTRS1993

The quantum dynamics of electronically nonadiabatic chemical reactions

Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally adiabatic functions in various quantum scattering algorithms.

Truhlar, Donald G.↗
NASA NTRS1994

Protein structure, electron transfer and evolution of prokaryotic photosynthetic reaction centers

Photosynthetic reaction centers from a variety of organisms have been isolated and characterized. The groups of prokaryotic photosynthetic organisms include the purple bacteria, the filamentous green bacteria, the green sulfur bacteria and the heliobacteria as anoxygenic representatives as well as the cyanobacteria and prochlorophytes as oxygenic representatives. This review focuses on structural and functional comparisons of the various groups of photosynthetic reaction centers and considers possible evolutionary scenarios to explain the diversity of existing photosynthetic organisms.

NASA Discipline Exobiology↗
NASA NTRS2015

Modeling of Non-Isothermal Cryogenic Fluid Sloshing

A computational fluid dynamic model was used to simulate the thermal destratification in an upright self-pressurized cryostat approximately half-filled with liquid nitrogen and subjected to forced sinusoidal lateral shaking. A full three-dimensional computational grid was used to model the tank dynamics, fluid flow and thermodynamics using the ANSYS Fluent code. A non-inertial grid was used which required the addition of momentum and energy source terms to account for the inertial forces, energy transfer and wall reaction forces produced by the shaken tank. The kinetics-based Schrage mass transfer model provided the interfacial mass transfer due to evaporation and condensation at the sloshing interface. The dynamic behavior of the sloshing interface, its amplitude and transition to different wave modes, provided insight into the fluid process at the interface. The tank pressure evolution and temperature profiles compared relatively well with the shaken cryostat experimental test data provided by the Centre National D'Etudes Spatiales.

Cryogenics↗
NASA NTRS1985

Cytochromes and iron sulfur proteins in sulfur metabolism of phototrophic bacteria

Dissimilatory sulfur metabolism in phototrophic sulfur bacteria provides the bacteria with electrons for photosynthetic electron transport chain and, with energy. Assimilatory sulfate reduction is necessary for the biosynthesis of sulfur-containing cell components. Sulfide, thiosulfate, and elemental sulfur are the sulfur compounds most commonly used by phototrophic bacteria as electron donors for anoxygenic photosynthesis. Cytochromes or other electron transfer proteins, like high-potential-iron-sulfur protein (HIPIP) function as electron acceptors or donors for most enzymatic steps during the oxidation pathways of sulfide or thiosulfate. Yet, heme- or siroheme-containing proteins themselves undergo enzymatic activities in sulfur metabolism. Sirohemes comprise a porphyrin-like prosthetic group of sulfate reductase. eenzymatic reactions involve electron transfer. Electron donors or acceptors are necessary for each reaction. Cytochromes and iron sulfur problems, are able to transfer electrons.

Fischer, U.↗
NASA NTRS1989

Computational aerothermodynamics

Computational aerothermodynamics concerns the coupling of real gas effects with equations of motion to include thermochemical rate processes for chemical and energy exchange phenomena. These processes concern the creation and destruction of gas species by chemical reactions and the transfer of energy between the various species and between the various energy modes (e.g., translation, rotation, vibration, ionization, dissociation/recombination, etc.) of the species. To gain some insight into when such phenomena occur for current and future aerospace flight vehicles the author shows the flight regimes of some typical vehicles (e.g., Concord, aerospace plane, Space Shuttle, associated space transfer vehicles, Apollo entry vehicle, etc.) in terms of flight altitude and flight speed. Also indicated are regimes where chemical reactions such as dissociation and ionization are important and where nonequilibrium thermochemical phenomena are important.

Deiwert, George S.↗
NASA NTRS1997

Computer-aided design of a proton pump

The use of transmembrane proton gradients in energy transduction is an almost universal feature of life on earth. These proton gradients are established and maintained by specialized assemblies of proteins which actively pump protons across membranes. One broad class of proton pumps uses captured light energy to drive the proton pumping. Our goal is to elucidate the minimum structural requirements of a light-driven proton-pump. There are two basic components to a simple light-driven proton pump: a source of photo-generated protons and a "gate-keeper" which prevents these protons from reattaching themselves to their source. A wide variety of molecules in the membrane, even as simple as polycyclic aromatic hydrocarbons, are capable of releasing protons when illuminated. Our work is therefore focused on the design of the "gate-keeper." Our initial model involves a pair of proton acceptors, coupled to each other by a transient water bridge, and supported in the membrane by a small bundle of peptide helices. Upon illumination, the proton source transfers its proton to the:- first acceptor of the gate-keeper. While the reverse reaction is highly probable, all that is needed to ensure irreversibility is a nonvanishing probability that the proton will be transferred to the second acceptor across a transient water bridge. Back transfer of the proton to the first acceptor, and thence to the proton source, is impeded by the free energy required to move the proton uphill towards the. proton source and by the disruption of the transient water bridge. As a prototypical water-bridged proton transfer system, we are studying the transfer of a proton across a water bridge from a formic acid to a formate anion. With a pK(sub alpha), of 3.7. formic acid is a good model for the acidic amino acids glutamate and aspartate which are good candidates for gate-keeper proton acceptors. Simulations of proton transfer reactions in a membrane are complicated by the quantum mechanical nature of the process breaking and forming chemical bonds.

New, Michael H.↗
NASA NTRS1972

A Numerical Analysis of the Transient Response of an Ablation System Including Effects of Thermal Nonequilibrium, Mass Transfer and Chemical Kinetics

The differential equations governing the transient response of a one-dimensional ablative thermal protection system undergoing stagnation ablation are derived. These equations are for thermal nonequilibrium effects between the pyrolysis gases and the char layer and kinetically controlled chemical reactions and mass transfer between the pyrolysis gases and the char layer. The boundary conditions are written for the particular case of stagnation heating with surface removal by oxidation or sublimation and pyrolysis of the uncharred layer occurring in a plane. The governing equations and boundary conditions are solved numerically using the modified implicit method (Crank-Nicolson method). Numerical results are compared with exact solutions for a number of simplified cases. The comparison is favorable in each instance.

Clark, R. K.↗
NASA NTRS1978

Role of alloying elements in adhesive transfer and friction of copper-base alloys

Sliding friction experiments were conducted in a vacuum with binary-copper alloy riders sliding against a conventional bearing-steel surface with normal residual oxides present. The binary alloys contained 1 atomic percent of various alloying elements. Auger spectroscopy analysis was used to monitor the adhesive transfer of the copper alloys to the bearing-steel surface. A relation was found to exist between adhesive transfer and the reaction potential and free energy of formation of the alloying element in the copper. The more chemically active the element and the more stable its oxide, the greater was the adhesive transfer and wear of the copper alloy. Transfer occurred in all the alloys except copper-gold after relatively few (25) passes across the steel surface.

Buckley, D. H.↗
NASA NTRS1985

Modelling of Laser-Enhanced Chemical Vapor Deposition

Research is directed at development of a detailed model of mass and heat transfer and chemical reaction in the pyrolysis of silane for the growth of thin amorphous silicon substrates incorporating laser heating of the gas phase above the film. The model will be the basis for evaluation of the relative importances of the decomposition of SiH4 in the vapor phase, mass transfer of the intermediate species, e.g., SiH2, and the evolution of hydrogen gas. Plans are also underway for developing a model for homogeneous nucleation of Si in the vapor phase to model the rate limitations observed at high gas-phase temperatures and high partial pressures of silane. Work was concentrated on an almost one-dimensional model for the coupling of the CO2 laser beam for heat transfer of the vapor phase with simple kinetic models for SiH4 decomposition and subsequent absorption of Si vapor on the substrate. Mass transfer in the vapor phase is assumed to be solely by diffusion. The role of convection in the vapor phase caused by the large changes in density in and around the center of the laser beam will be analyzed to evaluate the potential of microgravity experiments for increasing the uniformity of the film and the deposition rate.

Brown, R. A.↗