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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Diffusion in mixed solvents. II - The heat of mixing parameter

Correlation of second-order rate constants for many reactions involving electron transfer between organic molecules, solvated electron reactions, iodine diffusion coefficients, and triplet state electron transfer reactions has been made with the heat of mixing parameter (HMP) for the aqueous binary solvent systems. The aqueous binary solvents studied are those containing methanol or ethanol (type I solvent); 1-propanol or tert-butyl alcohol (type II solvent); or sucrose or glycerol (type III solvent). A plot of the HMP vs. the diffusion parameter for each reaction yields superimposable curves for these reactions in a particular solvent mixture over the entire solvent mixture range, irrespective of the value of the reaction's rate constant or diffusion coefficient in water.

Carapellucci, P. A.↗
NASA NTRS2003

Forced Forward Smoldering Experiments Aboard The Space Shuttle

Smoldering is a basic combustion problem that presents a fire risk because it is initiated at low temperatures and because the reaction can propagate slowly in the material interior and go undetected for long periods of time. It yields a higher conversion of fuel to toxic compounds than does flaming, and may undergo a transition to flaming. To date there have been a few minor incidents of overheated and charred cables and electrical components reported on Space Shuttle flights. With the establishment of the International Space Station, and the planning of a potential manned mission to Mars, there has been an increased interest in the study of smoldering in microgravity. The Microgravity Smoldering Combustion (MSC) experiment is part of a study of the smolder characteristics of porous combustible materials in a spacecraft environment. The aim of the experiment is to provide a better fundamental understanding of the controlling mechanisms of smoldering combustion under normal- and microgravity conditions. This in turn will aid in the prevention and control of smolder originated fires, both on earth and in spacecrafts. The microgravity smoldering experiments have to be conducted in a space-based facility because smoldering is a very slow process and consequently its study in a microgravity environment requires extended periods of time. The microgravity experiments reported here were conducted aboard the Space Shuttle. The most recent tests were conducted during the STS-105 and STS-108 missions. The results of the forward smolder experiments from these flights are reported here. In forward smolder, the reaction front propagates in the same direction as the oxidizer flow. The heat released by the heterogeneous oxidation reaction is transferred ahead of the reaction heating the unreacted fuel. The resulting increase of the virgin fuel temperature leads to the onset of the smolder reaction, and propagates through the fuel. The MSC data are compared with normal gravity data to determine the effect of gravity on smolder.

Fernandez-Pello, A. C.↗
NASA NTRS2022

Quantifying Structural Relationships of Metal-Binding Sites Suggests Origins of Biological Electron Transfer

Biological redox reactions drive planetary biogeochemical cycles. Using a novel, structure-guided sequence analysis of proteins, we explored the patterns of evolution of enzymes responsible for these reactions. Our analysis reveals that the folds that bind transition metal–containing ligands have similar structural geometry and amino acid sequences across the full diversity of proteins. Similarity across folds reflects the availability of key transition metals over geological time and strongly suggests that transition metal–ligand binding had a small number of common peptide origins. We observe that structures central to our similarity network come primarily from oxidoreductases, suggesting that ancestral peptides may have also facilitated electron transfer reactions. Last, our results reveal that the earliest biologically functional peptides were likely available before the assembly of fully functional protein domains over 3.8 billion years ago. Thus, life is a special, very complex form of motion of matter, but this form did not always exist, and it is not separated from inorganic nature by an impassable abyss; rather, it arose from inorganic nature as a new property in the process of evolution of the world. We must study the history of this evolution if we want to solve the problem of the origin of life.

Yana Bromberg↗
NASA NTRS1995

Extensional flow convecting a reactant undergoing a first order homogeneous reaction and diffusional mass transfer from a sphere at low to intermediate Peclet and Damkohler numbers

Forced convective diffusion-reaction is considered for viscous axisymmetric extensional convecting velocity in the neighborhood of a sphere. For Peclet numbers in the range 0.1 less than or equal to Pe less than or equal to 500 and for Damkohler numbers increasing with increasing Pe but in the overall range 0.02 less than or equal to Da less than or equal to 10, average and local Sherwood numbers have been computed. By introducing the eigenfunction expansion c(r, Theta) = Sum of c(n)(r)P(n)(cos Theta) into the forced convective diffusion equation for the concentration of a chemical species undergoing a first order homogeneous reaction and by using properties of the Legendre functions Pn(cos Theta), the variable coefficient PDE can be reduced to a system of N + 1 second order ODEs for the radial functions c(sub n)(r), n = 0, 1, 2,..., N. The adaptive grid algorithm of Pereyra and Lentini can be used to solve the corresponding 2(N + 1) first order differential equations as a two-point boundary value problem on 1 less than or equal to r less than or equal to r(sub infinity). Convergence of the expansion for a specific value of N can thus be established and provides 'spectral' behavior as well as the full concentration field c(r, Theta).

Shah, N. Y.↗
NASA NTRS1972

The Bosch process.

Many previous studies have been carried out to elucidate certain aspects of the Bosch process wherein CO2 is reacted over an iron catalyst to form carbon and water at temperatures around 1100 F. These results are assembled, and with the aid of new experimental data, are used to analyze the various reactions involved. It is shown that CO2 and H2 will not usually react to deposit carbon unless water is removed in a recycle loop. The critical importance of large catalyst areas is stressed relative to catalyst pretreatment processes. It is shown that in most operating Bosch reactions, mass transfer controls the rate of reaction, and it is suggested that the carbon filaments found are the expected result of such a rate limiting process. Typical recycle gas mixtures are considered, and maximum water yields are determined from various cases. A few suggestions are made to improve Bosch reaction performance, and a number of unresolved problems are noted.

Meissner, H. P.↗
NASA NTRS2002

Theoretical Study of Tautomerization Reactions for the Ground and First Excited Electronic States of Adenine

Geometrical structures and energetic properties for different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest singlet excited state potential energy surfaces are studied. Four tautomeric forms are considered, and their energetic order is found to be different on the ground and the excited state potential energy surfaces. Minimum energy reaction paths are obtained for hydrogen atom transfer (tautomerization) reactions in the ground and the lowest excited electronic states. It is found that the barrier heights and the shapes of the reaction paths are different for the ground and the excited electronic states, suggesting that the probability of such tautomerization reaction is higher on the excited state potential energy surface. This tautomerization process should become possible in the presence of water or other polar solvent molecules and should play an important role in the photochemistry of adenine.

Salter, Latasha M.↗
NASA NTRS1966

Chemical reactions in electrical plasmas.

Chemical kinetics of electron plasma reactions, discussing energy states, ion-molecule reactions, charge transfer, transport properties, phase interactions, etc

ENERGY LEVEL↗
NASA NTRS1990

Numerical analysis of bipropellant combustion in orbit maneuvering vehicle thrust chamber

The combustion and aerodynamic processes of liquid-liquid bipropellant; monomethylhydrazine and nitrogen tetroxide in the combustion chamber of a variable thrust engine (VTE) have been examined to assess the flow structure, combustion characteristics, and wall heat transfer under the simulated engine operations at two power levels. The Generalized Elliptic Multi-phase flow with Chemical reaction, Heat transfer and Interfacial Processes (GEM-CHIP) code and the Bipropellant Combustion (BICOMB) code, which is the GEMCHIP algorithm reformulated in the frame work of a body fitted coordinate system, have been used for the numerical study. Combustion flow structure with non-premixed type injection that simulates the impingement type injector is predicted and the results are compared with that of the premixed injector.

Chiu, H. H.↗
NASA NTRS1972

Electrochemical behavior of the boron anode in aqueous solutions

The electrochemical oxidation of p-type boron in 0.2 N NaNO3 solutions of pH 0.4 to 13.1 was studied by galvanostatic techniques. The capacitance of the electrode, Tafel slopes, and a limited analysis of reaction mechanisms are reported. The anodic dissolution in acid solution is a charge-transfer-limited one-electron reaction to form a monovalent species in the over-potential region of 0.25 to 0.70 V. The dissolution in basic solution is most probably a one-electron charge-transfer reaction from a monovalent to divalent species involving three hydroxyl ions. Open circuit potentials were mixed potentials, probably due to hydrogen formation at open circuit but not contributing to the electrochemical reaction at the applied overpotential. Exchange current, estimated by extrapolation of the Tafel line to the standard oxidation potential for the boron reaction, were of the order of 10 to the minus 6th power A/cm2 in acid solution and 10 to the minus 12th power A/cm2 in basic solution. The reaction order of the rate determining acidic and basic reactions was determined with regard to (H+) and (OH-). The level of illumination had no effect on the electrochemical behavior of the electrode.

Delduca, B. S.↗
NASA NTRS2003

Numerical Modeling of Fluid Transient in Cryogenic Fluid Network of Rocket Propulsion System

Fluid transients, also known as water hammer, can have a significant impact on the design and operation of both spacecraft and launch vehicles propulsion systems. These transients often occur at system activation and shut down. For ground safety reasons, many spacecrafts are launched with the propellant lines dry. These lines are often evacuated by the time the spacecraft reaches orbit. When the propellant isolation valve opens during propulsion system activation, propellant rushes into lines creating a pressure surge. During propellant system shutdown, a pressure surge is created due to sudden closure of a valve. During both activation and shutdown, pressure surges must be predicted accurately to ensure structural integrity of the propulsion system fluid network. The method of characteristics is the most widely used method of calculating fluid transients in pipeline [ 1,2]. The method of characteristics, however, has limited applications in calculating flow distribution in complex flow circuits with phase change, heat transfer and rotational effects. A robust cryogenic propulsion system analyzer must have the capability to handle phase change, heat transfer, chemical reaction, rotational effects and fluid transients in conjunction with subsystem flow model for pumps, valves and various pipe fittings. In recent years, such a task has been undertaken at Marshall Space Flight Center with the development of the Generalized Fluid System Simulation Program (GFSSP), which is based on finite volume method in fluid network [3]. GFSSP has been extensively verified and validated by comparing its predictions with test data and other numerical methods for various applications such as internal flow of turbo-pump [4], propellant tank pressurization [5,6], chilldown of cryogenic transfer line [7] and squeeze film damper rotordynamics [8]. The purpose of the present paper is to investigate the applicability of the finite volume method to predict fluid transient in cryogenic flow circuits.

Majumdar, Alok↗
NASA NTRS1995

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

An algorithm has been developed for the forced convective diffusion-reaction problem for convection inside and outside a droplet by a recirculating flow field hydrodynamically coupled at the droplet interface with an external flow field that at infinity becomes a uniform 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 results are shown here for the case of no reaction 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 NTRS2001

Mechanistic Studies of Combustion and Structure Formation During Synthesis of Advanced Materials

Combustion in a variety of heterogeneous systems, leading to the synthesis of advanced materials, is characterized by high temperatures (2000-3500 K) and heating rates (up to 10(exp 6) K/s) at and ahead of the reaction front. These high temperatures generate liquids and gases which are subject to gravity-driven flow. The removal of such gravitational effects is likely to provide increased control of the reaction front, with a consequent improvement in control of the microstructure of the synthesized products. Thus, microgravity (mu-g) experiments lead to major advances in the understanding of fundamental aspects of combustion and structure formation under the extreme conditions of the combustion synthesis (CS) wave. In addition, the specific features of microgravity environment allow one to produce unique materials, which cannot be obtained under terrestrial conditions. The current research is a logic continuation of our previous work on investigations of the fundamental phenomena of combustion and structure formation that occur at the high temperatures achieved in a CS wave. Our research is being conducted in three main directions: 1) Microstructural Transformations during Combustion Synthesis of Metal-Ceramic Composites. The studies are devoted to the investigation of particle growth during CS of intermetallic-ceramic composites, synthesized from nickel, aluminum, titanium, and boron metal reactants. To determine the mechanisms of particle growth, the investigation varies the relative amount of components in the initial mixture to yield combustion wave products with different ratios of solid and liquid phases, under 1g and mu-g conditions; 2) Mechanisms of Heat Transfer during Reactions in Heterogeneous Media. Specifically, new phenomena of gasless combustion wave propagation in heterogeneous media with porosity higher than that achievable in normal gravity conditions, are being studied. Two types of mixtures are investigated: clad powders, where contact between reactants occurs within each particle, and mixtures of elemental powders, where interparticle contacts are important for the reaction; and 3) Mechanistic Studies of Phase Separation in Combustion of Thermite Systems. Studies are devoted to experiments on thermite systems (metal oxide-reducing metal) where phase separation processes occur to produce alloys with tailored compositions and properties. The separation may be either gravity-driven or due to surface forces, and systematic studies to elucidate the true mechanism are being conducted. The knowledge obtained will be used to find the most promising ways of controlling the microstructure and properties of combustion-synthesized materials. Low-gravity experiments are essential to create idealized an environment for insights into the physics and chemistry of advanced material synthesis processes.

Varma, A.↗
NASA NTRS1977

Time-resolved double-probe study in a He-Hg afterglow plasma

An experimental double-probe technique is described which allows the He(+) ion density to be measured directly as a function of time in the afterglow of a helium-metal-vapor discharge. As an application example, two CW laser transitions of the He-Hg(+) laser at 6150 and 7944 A are considered which both arise from excited 7p (2) P terms of Hg II. The time-resolved double-probe technique is used to measure the destruction rate of the He(+) ion density, which is then compared with the spontaneous-emission decay rate for 7p (2) P terms of Hg II. The results obtained show unambiguously and directly that the dominant excitation process for the two transitions considered is a charge-transfer collisional reaction of the form He(+) plus Hg yields He plus metastable Hg(+) plus the energy defect for this reaction. It is noted that the time-resolved double-probe technique may provide a simple method for measuring ion mobilities in a multi-ion plasma.

Shay, T.↗
NASA NTRS1982

Recent theoretical chemical dynamics at Rochester in the paths of Joseph O. Hirschfelder

A review of recent theoretical studies of gas-phase molecular rate processes, including various effects of laser radiation, is presented in the context of the extensive and influential work of Joseph O. Hirschfelder during the past half-century. The topics addressed are energy transfer, chemical reactions, unimolecular dissociation, transition states, and bound-continuum interactions.

George, T. F.↗
NASA NTRS1988

Ten past and ten future GAS/MAUS-payloads

MAUS (materials science autonomous experiments) is one out of a series of flight opportunities which the Space Program of West Germany offers to scientists from the disciplines of materials research and processing for performing materials science investigations under microgravity conditions. Up to now, ten MAUS experiments were flown which were dealing with the following scientific topics: decomposition of binary alloys with miscibility gap in the liquid state, interaction of a solidification front with dispersed particles, critical Marangoni number, investigation of the magnetic compound MnBi, shrinkage of gas bubbles in glass melts and slip casting. The ten future experiments are partly reflights with modification of the scientific objectives as well as new experiments in the fields of chemical reactions, heat transfer, glass technology and Ostwald ripening. Looking to ten flown payloads, the peculiarities of instrument technology in GAS-cans and its evolution is discussed with emphasis on structure, electronics and thermal design. A typical modern payload using 100 percent of the resource is presented.

Staniek, S.↗
NASA NTRS1998

Current Status on the use of Parallel Computing in Turbulent Reacting Flow Computations Involving Sprays, Monte Carlo PDF and Unstructured Grids

The state of the art in multidimensional combustor modeling as evidenced by the level of sophistication employed in terms of modeling and numerical accuracy considerations, is also dictated by the available computer memory and turnaround times afforded by present-day computers. With the aim of advancing the current multi-dimensional computational tools used in the design of advanced technology combustors, a solution procedure is developed that combines the novelty of the coupled CFD/spray/scalar Monte Carlo PDF (Probability Density Function) computations on unstructured grids with the ability to run on parallel architectures. In this approach, the mean gas-phase velocity and turbulence fields are determined from a standard turbulence model, the joint composition of species and enthalpy from the solution of a modeled PDF transport equation, and a Lagrangian-based dilute spray model is used for the liquid-phase representation. The gas-turbine combustor flows are often characterized by a complex interaction between various physical processes associated with the interaction between the liquid and gas phases, droplet vaporization, turbulent mixing, heat release associated with chemical kinetics, radiative heat transfer associated with highly absorbing and radiating species, among others. The rate controlling processes often interact with each other at various disparate time 1 and length scales. In particular, turbulence plays an important role in determining the rates of mass and heat transfer, chemical reactions, and liquid phase evaporation in many practical combustion devices.

Raju, M. S.↗