Thermal control coating Patent
Low concentration alkaline solution treatment of aluminum with metal phosphate surface coatings to improve chemical bonding and reduce coating weight
Wakelyn, N. T.↗
SEARCH · Engineering Papers
Results for “Chemical solutions”
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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The response of stratospheric constituents to a solar eclipse, sunrise, and sunset
The use of measurements combined with detailed stratospheric modeling of time dependent events, to confirm chemical mechanisms and their laboratory rate constants, is examined. Careful simultaneous solutions of these equations have shown a significant daytime variation of ozone down to altitudes of about 30 km that can affect the interpretation of spectral absorption type experiments. The calculated sunset variations of NO and HO show a log linear concentration decay for limited time periods that can be readily converted into atmospheric temperatures by using known reaction rates up to about 70-km altitude. Proposed measurements of the time dependent behavior of NO and NO2 to be made by U2 aircraft at 20-km altitude are also discussed.
Herman, J. R.↗
Decomposition of hypochlorite in the presence of copper in a homogeneous medium
Spectrophotometric, spectrographic and chemical methods have demonstrated that yellow staining of a hypochlorite alkaline solution in the presence of sodium cuproate was determined by the formation of an unstable intermediate compound of trivalent copper of the type NaCu(OH)4 sorium cupriate.
Prokopchik, A. YU.↗
The computation of non-equilibrium chemically-reacting flows
Numerical techniques for the analysis of flows with nonequilibrium thermodynamics and chemistry are developed and demonstrated. Particular attention is given to the formulation of the thermodynamic and chemical gas models, the derivation of the governing equations, and the solution procedures. Results for typical problems involving shock tubes and supersonic diffusers are presented in extensive graphs and briefly characterized.
Grossman, B.↗
Point-implicit relaxation strategies for viscous, hypersonic flows
An upwind-biased, point-implicit relaxation algorithm for obtaining the numerical solution to the governing equations for 3D, viscous, hypersonic flows in chemical and thermal nonequilibrium is described. The algorithm is derived using a finite-volume formulation in which the inviscid components of flux across cell walls are described with a modified Roe's averaging and Harten's entropy fix with second-order corrections based on Yee's symmetric total variation diminishing scheme. Newton relaxation of the fully coupled equation set is employed on a cell-to-cell basis. Under-relaxation of the inviscid and over-relaxation of the viscous contributions to the residual are implemented. Computational work is easily partitioned among many processors in an asynchronous, dynamic mode for convergence acceleration. An overview of the physical models employed herein for thermochemical nonequilibrium is included. Several test cases and comparisons with experimental data are presented involving hypersonic flow over blunt bodies which illustrate the qualitative and quantitative capabilities of this approach.
Gnoffo, P. A.↗
Computational modeling of properties
A simple model was developed to calculate the electronic transport parameters in disordered semiconductors in strong scattered regime. The calculation is based on a Green function solution to Kubo equation for the energy-dependent conductivity. This solution together with a rigorous calculation of the temperature-dependent chemical potential allows the determination of the dc conductivity and the thermopower. For wide-gap semiconductors with single defect bands, these transport properties are investigated as a function of defect concentration, defect energy, Fermi level, and temperature. Under certain conditions the calculated conductivity is quite similar to the measured conductivity in liquid 2-6 semiconductors in that two distinct temperature regimes are found. Under different conditions the conductivity is found to decrease with temperature; this result agrees with measurements in amorphous Si. Finally the calculated thermopower can be positive or negative and may change sign with temperature or defect concentration.
Franz, Judy R.↗
Computational modeling of properties
A simple model was developed to calculate the electronic transport parameters in disordered semiconductors in strong scattered regime. The calculation is based on a Green function solution to Kubo equation for the energy-dependent conductivity. This solution together with a rigorous calculation of the temperature-dependent chemical potential allows the determination of the dc conductivity and the thermopower. For wise-gap semiconductors with single defect bands, these transport properties are investigated as a function of defect concentration, defect energy, Fermi level, and temperature. Under certain conditions the calculated conductivity is quite similar to the measured conductivity in liquid II-VI semiconductors in that two distinct temperature regimes are found. Under different conditions the conductivity is found to decrease with temperature; this result agrees with measurements in amorphous Si. Finally the calculated thermopower can be positive or negative and may change sign with temperature or defect concentration.
Franz, Judy R.↗
Aeroheating Environments for a Mars Smart Lander
A proposed Mars Smart Lander is designed to reach the surface via lifting-body atmospheric entry (alpha = 16 deg) to within 10 km of the target site. CFD (computational fluid dynamics) predictions of the forebody aeroheating environments are given for a direct entry from a 2005 launch. The solutions were obtained using an 8-species gas in thermal and chemical nonequilibrium with a radiative-equilibrium wall temperature boundary condition. Select wind tunnel data are presented from tests at NASA Langley Research Center. Turbulence effects are included to account for both smooth body transition and turbulence due to heatshield penetrations. Natural transition is based on a momentum-thickness Reynolds number value of 200. The effects of heatshield penetrations on turbulence are estimated from wind tunnel tests of various cavity sizes and locations. Both natural transition and heatshield penetrations are predicted to cause turbulence prior to the nominal trajectory peak heating time. Laminar and turbulent CFD predictions along the trajectory are used to estimate heat rates and loads. The predicted peak turbulent heat rate of 63 W/sq cm on the heatshield leeward flank is 70% higher than the laminar peak. The maximum integrated heat load for a fully turbulent heat pulse is 38% higher than the laminar load on the heatshield nose. The predicted aeroheating environments with uncertainty factors will be used to design a thermal protection system.
Edquist, Karl T.↗
Aminopolycarboxylates in trivalent f-element separations
Aminopolycarboxylate reagents strongly bind a variety of metal ions. Trivalent f-elements are no exception. The formed complexes are very stable, especially when aminopolycarboxylate structure contains multiple aminoacetate groups. The efficient coordination of trivalent f-elements by these reagents prompted decades of research and development efforts devoted to separation and purification of f-block metal ions. This chapter overviews the fundamental and applied aspects of aminopolycarboxylate use in trivalent f-element separations. First, a brief synopsis on how the chemical properties of 4f and 5f metal ions determine their similar solution behavior is followed by a discussion of aqueous complexation as means to perturb it. The synthetic methodologies for preparation of aminopolycarboxylate complexants are discussed next. Fundamental features of trivalent f-element complexation by aminopolycarboxylates are summarized, focusing on a variety of structure-function relationships demonstrated for this class of chelators and theoretical efforts to accurately describe such coordination environments. Finally, historical accounts of aminopolycarboxylate use in 4f and 5f element separations are supplemented by recent advances in those research fields.
Jansone-Popova, Santa↗
The Importance of Chemical Research to the U.S. Economy
Chemistry plays a pivotal role in the strength of the U.S. economy and the advancement of humankind. Chemists' achievements include life-saving pharmaceuticals, advanced energy solutions, improved agricultural productivity, and novel materials used in products from clothing to electronic devices. The many sectors reliant on the U.S. chemical economy account for about 25% of the U.S. GDP and support 4.1 million U.S. jobs. However, a new and evolving chemistry landscape requires changes with regard to funding, training, and a focus on integrating sustainability into manufacturing, product usage, and product disposal. This report identifies strategies and options for research investments that will support U.S. leadership while considering environmental sustainability and developing a diverse chemical economy workforce with equitable opportunities for all chemistry talent. The report recommends that funding agencies and philanthropic organizations who support the chemical sciences fund as large a breadth of fundamental research projects as possible. Chemical industry and their partners at universities, scientific research institutions, and national laboratories should align the objectives of fundamental research to directly assist with new practices toward environmental stewardship, sustainability, and clean energy. Additionally, the report recommends that funding agencies make substantial investment toward education research to enable innovative ways of teaching about emerging concepts, tools and technologies.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Analysis as a Key Guiding Tool for Waste Carbon Utilization
Over a billion metric tons of waste and biomass are projected to be available in a future mature market in the United States. These resources represent an opportunity to decouple chemical and polymer production from conventional fossil fuel feedstocks, but such a broad solution space can also make for challenging decision-making. This talk will provide researchers with an introduction to key analysis techniques such as techno-economic analysis, life cycle assessment, and material flow analysis: how they are conducted and how they can be used to benchmark the costs, environmental impacts, and circularity of new innovations as well as to identify opportunities for prioritization and optimization. Using a series of examples related to plastic recycling and chemical manufacturing, we will explore how analysis can guide where and how to leverage waste carbon in supply chains towards a future circular economy.
chemical↗
A System Engineering Approach in the Analysis of Ionic Liquids Properties [Thesis]
Room temperature ionic liquids (RTIL) are ionic compounds, comprised of a cation and anion, in the liquid state at temperatures below 100 ⁰C. There are estimated 10 18 anion and cation combinations, which can create RTILs with unique properties. While the ionic character of RTILs made them attractive in a wide variety of electrochemical applications, their behaviors under electrochemical conditions are not well understood. In this research, we developed a RTIL testbed to investigate how RTILs differ from molecular solvents and electrolytes in electrochemical systems through the study of the effects of their morphology and chemical properties on the electron transfer processes. The test bed is composed of three modules: Electrochemistry, Material characterization, Computational. All modules have been completely developed, verified, and integrated and two of them, i.e., Electrochemistry and Material characterization have been validated in this dissertation. To evaluate the proposed system, experiments were performed on solutions of a redox active species in RTILs. It was found that it is possible to investigate the RTIL's morphology and chemical properties' impact on the electron transfer processes of the solute based on the outcomes and evaluations of tests performed by the RTIL testbed.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Growth of Solid Solution Crystals
The major objective of this program is to determine the conditions under which single crystals of solid solutions can be grown from the melt in a Bridgman configuration with a high degree of chemical homogeneity. The central aim is to assess the role of gravity in the growth process and to explore the possible advantages for growth in the absence of gravity. The alloy system being investigated is the solid solution semiconductor with x-values appropriate for infrared detector applications in Hg sub (1-x) Cd sub x Te the 8 to 14 micro m wavelength region. Both melt and Te-solvent growth are being considered. The study consists of an extensive ground-based experimental and theoretical research effort followed by flight experimentation where appropriate. Experimental facilities have been established for the purification, casting, and crystal growth of the alloy system. Facilities have been also established for the metallurgical, compositional, electric and optical characterization of the alloys. Crystals are being grown by the Bridgman-Stockbarger method and are analyzed by various experimental techniques to evaluate the effects of growth conditions on the longitudinal and radial compositional variations and defect densities in the crystals.
Lehoczky, S. L.↗
Advanced Multi-Phase Flow CFD Model Development for Solid Rocket Motor Flowfield Analysis
It is known that the simulations of solid rocket motor internal flow field with AL-based propellants require complex multi-phase turbulent flow model. The objective of this study is to develop an advanced particulate multi-phase flow model which includes the effects of particle dynamics, chemical reaction and hot gas flow turbulence. The inclusion of particle agglomeration, particle/gas reaction and mass transfer, particle collision, coalescence and breakup mechanisms in modeling the particle dynamics will allow the proposed model to realistically simulate the flowfield inside a solid rocket motor. The Finite Difference Navier-Stokes numerical code FDNS is used to simulate the steady-state multi-phase particulate flow field for a 3-zone 2-D axisymmetric ASRM model and a 6-zone 3-D ASRM model at launch conditions. The 2-D model includes aft-end cavity and submerged nozzle. The 3-D model represents the whole ASRM geometry, including additional grain port area in the gas cavity and two inhibitors. FDNS is a pressure based finite difference Navier-Stokes flow solver with time-accurate adaptive second-order upwind schemes, standard and extended k-epsilon models with compressibility corrections, multi zone body-fitted formulations, and turbulence particle interaction model. Eulerian/Lagrangian multi-phase solution method is applied for multi-zone mesh. To simulate the chemical reaction, penalty function corrected efficient finite-rate chemistry integration method is used in FDNS. For the AL particle combustion rate, the Hermsen correlation is employed. To simulate the turbulent dispersion of particles, the Gaussian probability distribution with standard deviation equal to (2k/3)(exp 1/2) is used for the random turbulent velocity components. The computational results reveal that the flow field near the juncture of aft-end cavity and the submerged nozzle is very complex. The effects of the turbulent particles affect the flow field significantly and provide better prediction of the ASRM performance. The multi-phase flow analysis using the FDNS code in the present research can be used as a design tool for solid rocket motor applications.
Liaw, Paul↗
A stratospheric chemical instability
The equations which determine partitioning of Cl(x) in steady state have multiple (three) solutions under conditions which might arise in the high-latitude winter stratosphere. Two of these solutions are stable, one is unstable, to infinitesimal perturbations. The relative stability of solutions is examined by subjecting the system to finite perturbations. The more stable solution is found to eliminate the less stable when semi-infinite volumes of the two solutions are placed in contact. The high-ClO, low NO2 solution is more stable under most conditions. Transitions from less to more stable states are slow in winter but may occur more rapidly when the seasonal variation of insolation is taken into account.
Fox, J. L.↗
Numerical solutions of the complete Navier-Stokes equations
The physical phenomena within supersonic flows that sustain chemical reactions are investigated. An earlier study to develop accurate physical models for supersonic reacting flowfields focused on 2-D laminar shear layers. The objective is to examine the mixing and subsequent combustion within turbulent reacting shear layers. To conduct this study, a computer program has been written to solve the axisymmetric Reynolds averaged Navier-Stokes equations. The numerical method uses a cell-centered finite volume approach and a Runge Kutta time stepping scheme. The Reynolds averaged equations are closed using the eddy viscosity concept. Several zero-equation models have been tested by making calculations for an H2-air nonreacting coaxial jet flow. Comparisons made with experimental data show that Cohen's eddy viscosity model provides best agreement. The finite rate chemistry model used in the study of 2-D laminar shear layers is incorporated into the computer program and data is compared from a recent experiment performed at NASA Langley.
Hassan, H. A.↗
Multi-Objective Hybrid Optimal Control for Multiple-Flyby Interplanetary Mission Design Using Chemical Propulsion
The customer (scientist or project manager) most often does not want just one point solution to the mission design problem Instead, an exploration of a multi-objective trade space is required. For a typical main-belt asteroid mission the customer might wish to see the trade-space of: Launch date vs. Flight time vs. Deliverable mass, while varying the destination asteroid, planetary flybys, launch year, etcetera. To address this question we use a multi-objective discrete outer-loop which defines many single objective real-valued inner-loop problems.
Design↗
Poly(cyclosilane) Connectivity Tunes Optical Absorbance
We report herein the influence of skeletal connectivity on the conformation-dependent optical properties of cyclosilane homo- and copolymers. 1,3-Linked cyclosilanes were bathochromically shifted by 20 nm in solution relative to 1,4-linked cyclosilanes, an effect reproduced by quantum chemical calculations on oligomeric model systems. Polysilane optical properties are conformation-dependent, and 1,3-linked cyclosilanes were hypothesized to adopt a favorable conformation unavailable to 1,4-linked cyclosilanes constrained to an endocyclic gauche conformation. Copolymerization of the isomeric cyclosilanes 1,3Si 6 and 1,4Si 6 afforded linear statistical copolymers, as characterized by 1 H and 29 Si NMR spectroscopies. The distinct connectivity of each comonomer was found to give rise to tunable absorption spectra, where the position of the absorption band systematically increased with the increased corporation of 1,3Si 6 . Computational studies pointed to conformation-dependent changes in orbital symmetry in shifting the most intense transition from the low-energy highest occupied molecular orbital (HOMO) → lowest unoccupied molecular orbital (LUMO) transition to a higher-energy HOMO → LUMO + n transition. Here, the results of these studies demonstrate for the first time the role of silicon skeletal connectivity in controlling conformation and optoelectronic properties and provide new insight into the structure-based design of solution-processable silicon-based polymeric materials.
36 MATERIALS SCIENCE↗