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At least 271 records · Page 15

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NASA NTRS1996

A Parametric Study of a Plug Nozzle, Using the Liquid Propellant Program (LPP) Code

The Liquid Propellant Program (LPP) computer code is a super-set of the industry standard Two Dimensional Kinetics (TDK) computer code. The TDK code uses a two dimensional method of characteristics solution with fully coupled finite rate kinetics for axially symmetric nozzles. The chemical reactions are modeled with a generalized reaction package that include three dimensional body efficiencies and four reaction rate forms. The code performs optional solutions for frozen or equilibrium flow. TDK evaluates discrete shocks, both attached or induced. The Transonic module models variable mixture ratio profiles from the combustion chamber injector. The Mass Addition Boundary Layer module (MABL) calculates the boundary parameters with the same chemistry options, and includes transpiration or tangential slot injection of gas at the wall. The LPP upgrades include: planar nozzle, scarfed nozzles, plug nozzles, and scramjet nozzle configurations. The code evaluates both upper and lower wall flow simulation, and includes the interaction with the external flow. The MABL module evaluates equilibrium radiation heat transfer for both upper and lower walls. In addition, LPP code models combustion effects due to injector inefficiencies with the Spray Combustion Analysis Program (SCAP) module. The LPP package provides extensive post plotting capabilities for flow visualization. The LPP is sufficiently fast and robust to provide performance predictions for extensive parametric studies and sufficiently accurate to provide flow field and performance solutions for detailed studies.

Dunn, Stuart S.↗

NASA NTRS1983

Postglacial rebound observed by Lageos and the effective viscosity of the lower mantle

Sixty-four observations of the orbital node made by the Lageos satellite over a five year time interval reveal an acceleration of (-8.1 + or 1.8) x 10 to the -8 power arcseconds day/2 due to a source which is not presently modeled in the GEODYN orbit determination computer program. This acceleration cannot be explained by the ocean tide with 18.6 year period, assuming it to be an equilibrium tide. Instead it seems to be due to postglacial rebound, which changes the J(2) coefficient in the spherical harmonic expansion of the earth's gravitational field at the rate of (-8.2 + or - 18) x 10 to the -19th power/s; this in turn accelerates the node. This rate does not agree with the -32 x 10 to the -19th power/s predicted by Wu and Peltier's (1982) L2 model, which has upper and lower mantle effective viscosities of 10 to the 21st and 22nd powers Pa's, respectively. it does agree well with their L1 model, which gives about 10 x 10 to the 19th power/s. Since the effective viscosity is 10 to the 21st power Pa s throughout the entire mantle in the L1 model, the results support the contentions that the effective viscosity is near 10 to the 21st power Pa s everywhere in the mantle, and this relatively low value for the effective viscosity may have permitted several degrees of polar wander due to glaciation during the Quaternary Ice Age.

Rubincam, D. P.↗

NASA NTRS1984

Postglacial rebound observed by Lageos and the effective viscosity of the lower mantle

Sixty-four observations of the orbital node made by the Lageos satellite over a five year time interval reveal an acceleration of (-8.1 + or - 1.8) x 10 to the -8 power arcseconds day/2 due to a source which is not presently modeled in the GEODYN orbit determination computer program. This acceleration cannot be explained by the ocean tide with 18.6 year period, assuming it to be an equilibrium tide. Instead it seems to be due to postglacial rebound, which changes the J(2) coefficient in the spherical harmonic expansion of the earth's gravitational field at the rate of (-8.2 + or - 18) x 10 to the -19th power/s; this in turn accelerates the node. This rate does not agree with the -32 x 10 to the -19th power/s predicted by Wu and Peltier's (1982) L2 model, which has upper and lower mantle effective viscosities of 10 to the 21st and 22nd powers Pa's, respectively. It does agree well with their L1 model, which gives about 10 x 10 to the 19th power/s. Since the effective viscosity is 10 to the 21st power Pa s throughout the entire mantle in the L1 model, the results support the contentions that the efective viscosity is near 10 to the 21st power Pa s everyhere in the mantle, and this relatively low value for the effective viscosity may have permitted several degrees of polar wander due to glaciation during the Quaternary Ice Age. Previously announced in STAR as N84-13705

Rubincam, D. P.↗

NASA NTRS1988

Fluid-thermal-structural study of aerodynamically heated leading edges

A finite element approach for integrated fluid-thermal-structural analysis of aerodynamically heated leading edges is presented. The Navier-Stokes equations for high speed compressible flow, the energy equation, and the quasi-static equilibrium equations for the leading edge are solved using a single finite element approach in one integrated, vectorized computer program called LIFTS. The fluid-thermal-structural coupling is studied for Mach 6.47 flow over a 3-in diam cylinder for which the flow behavior and the aerothermal loads are calibrated by experimental data. Issues of the thermal-structural response are studied for hydrogen-cooled, super thermal conducting leading edges subjected to intense aerodynamic heating.

Deuchamphai, Pramote↗

NASA NTRS1988

Flow-thermal-structural study of aerodynamically heated leading edges

A finite element approach for integrated fluid-thermal-structural analysis of aerodynamically heated leading edges is presented. The Navier-Stokes equations for high speed compressible flow, the energy equation, and the quasi-static equilibrium equations for the leading edge are solved using a single finite element approach in one integrated, vectorized computer program called LIFTS. The fluid-thermal-structural coupling is studied for Mach 6.47 flow over a 3-inch diameter cylinder for which the flow behavior and the aerothermal loads are calibrated by experimental data. Issues of the thermal-structural response are studied for hydrogen cooled, super thermal conducting leading edges subjected to intense aerodynamic heating.

Dechaumphai, Pramote↗

NASA NTRS1999

Frequency-Dependent Viscosity of Xenon Near the Critical Point

We used a novel, overdamped oscillator aboard the Space Shuttle to measure the viscosity eta of xenon near its critical density rho(sub c), and temperature T(sub c). In microgravity, useful data were obtained within 0.1 mK of T(sub c), corresponding to a reduced temperature t = (T -T(sub c))/T(sub c) = 3 x 10(exp -7). The data extend two decades closer to T(sub c) than the best ground measurements, and they directly reveal the expected power-law behavior eta proportional to t(sup -(nu)z(sub eta)). Here nu is the correlation length exponent, and our result for the small viscosity exponent is z(sub eta) = 0.0690 +/- 0.0006. (All uncertainties are one standard uncertainty.) Our value for z(sub eta) depends only weakly on the form of the viscosity crossover function, and it agrees with the value 0.067 +/- 0.002 obtained from a recent two-loop perturbation expansion. The measurements spanned the frequency range 2 Hz less than or equal to f less than or equal to 12 Hz and revealed viscoelasticity when t less than or equal to 10(exp -1), further from T(sub c) than predicted. The viscoelasticity scales as Af(tau), where tau is the fluctuation-decay time. The fitted value of the viscoelastic time-scale parameter A is 2.0 +/- 0.3 times the result of a one-loop perturbation calculation. Near T(sub c), the xenon's calculated time constant for thermal diffusion exceeded days. Nevertheless, the viscosity results were independent of the xenon's temperature history, indicating that the density was kept near rho(sub c), by judicious choices of the temperature vs. time program. Deliberately bad choices led to large density inhomogeneities. At t greater than 10(exp -5), the xenon approached equilibrium much faster than expected, suggesting that convection driven by microgravity and by electric fields slowly stirred the sample.

Berg, Robert F.↗

DOE OSTI2020

SorpPropLib : An Open-Source Database for Sorption Equilibrium Properties

Hundreds of sorption working pair equilibrium measurements have been reported in the literature, and many experimental results have been fitted to equilibrium equations. However, an open database does not exist for the equilibrium equations. Therefore, this work compiled 438 published equilibrium equations of sorption working pairs into an open-source database called SorpPropLib. SorpPropLib is accessible from six programming environments commonly used in sorption cycle simulation (C++, Excel®, Python®, Matlab®, Modelica® and Lab-VIEW™). Plotting capabilities allow fast cycle visualization in each programming environment. Thereby, the open-source database SorpPropLib aims to enable and encourage easy data sharing to advance sorption research.

Engelpracht, Mirko↗

DOE OSTI2022

A parametric approach to identify synergistic domains of process intensification for reactive separation

Process intensification aims to combine multiple tasks within multi-functional units to drastically improve economic, energy or sustainability metrics of a chemical process. Limited work exists to systematically identify the synergistic domains where intensification outperforms its nonintensified counterpart. In this work, we computationally derive the synergistic domains of a reactive separation system. Specifically, we first postulate general models for both intensified and nonintensified systems. We use these models to generate data to train a ReLU-type artifical neural network (ANN). Further, the trained ReLU-NN model is formulated as a multi-parametric mixed-integer linear program (mp-MILP), and the critical regions of this mp-MILP define the synergistic feasible domains of intensification. We have derived these synergistic domains of vapor–liquid equilibrium (VLE)-based reactive separation for several industrial applications. These synergistic domains enable quick screening of properties that favor intensification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Preparation and Characterization of Materials for Low- to Intermediate-Temperature CO2 Adsorption

Global carbon dioxide emissions are rising and the use of fossil fuels in several sectors are the leading causes. As global population and economies continue to grow significantly, the most practical method of lowering such emissions is to capture CO2. Although other technologies are more developed, adsorption is very promising and has attracted much attention. To ensure this technology’s success, it is essential to have suitable CO2 adsorbent materials. In this work, several new hydrotalcites (HTs) with different initial concentrations of ion precursors were prepared for the first time by the co-precipitation method—it was possible to verify that the ion concentrations influence the characteristics of the materials. The prepared HTs were characterized by thermogravimetric analysis (TG), X-Ray diffraction (XRD), surface area measurements and temperature-programmed desorption of CO2 (TPD-CO2) to relate their CO2 capture capacity to their physicochemical properties; the CO2 adsorption equilibrium isotherms were determined at 35 and 300 °C for the prepared samples, as well as for some commercial materials: magnesium oxide, calcium oxide, aluminium oxide and Zeolite 13X. After determining which materials present the best CO2 adsorption capacity, these were submitted to adsorption-desorption cycles to study their stability. The main objective of the work was to prepare and study different CO2 adsorbents for processes that are carried out at low and intermediate temperatures. From the experimental results, it was possible to conclude that the Zeolite 13X showed the best capacity at 35 °C, 3.38 mmol·g−1 (@ pCO2 = 1 bar), and a prepared calcined HT (c-HT2) was the best at 300 °C, 0.97 mmol·g−1 (@ pCO2 = 1 bar). Moreover, it seems there is an optimum initial concentration of the ions’ solutions for the tested HTs, which depends on the final application—c-HT1 showed a better capacity at 35 °C and c-HT2 at 300 °C. From the adsorption-desorption cycles—performed at 35 and 300 °C with the best materials using a magnetic suspension microbalance at 1 bar of CO2 partial pressure —, a working cyclic capacity of 2.69 mmol∙g−1 was achieved by the Zeolite at 35 °C; in turn, c-HT2 showed a working cyclic capacity of 0.79 mmol∙g−1 at 300 °C.

Figueiredo, Anabela↗

NASA NTRS1992

Dynamics and energetics of the solar corona

The primary objective of this research program is to improve our understanding of the dynamics and energetics of the solar corona both in the quiescent dynamic equilibrium state when coronal structure is dominated by the equatorial streamer belt and in the eruptive state when coronal plasma is ejected into the interplanetary medium. Numerical solutions of the time-dependent magnetohydrodynamic (MHD) equations and comparisons of the computed results with observations form the core of the approach to achieving this objective. Some of the specific topics that have been studied are: (1) quiescent coronal streamers in an atmosphere dominated by a dipole magnetic field at large radii, (2) the formation of coronal mass ejections (CMEs) in quiescent streamers due to the emergence of new magnetic flux and due to photospheric shear motion, (3) MHD shock formation near the leading edge of CMEs, (4) coronal magnetic arcade eruption as a result of applied photospheric shear motion, and (5) the three-dimensional structure of CMEs.

Steinolfson, R. S.↗

NASA NTRS1992

Heat transfer measurements and CFD comparison of swept shock wave/boundary-layer interactions

An experimental research program providing basic knowledge and establishing new data on the heat transfer in swept shock wave/boundary-layer interactions is described. An equilibrium turbulent boundary-layer on a flat plate is subjected to impingement by swept planar shock waves generated by a sharp fin. Five different interactions with fin angles ranging from 10 to 20 deg at freestream Mach numbers of 3.0 and 4.0 produce a variety of interaction strengths from weak to very strong. A foil heater generates a uniform heat flux over the flat plate surface and miniature thin-film-resistance sensors mounted on it are used to measure the local surface temperature. The heat convection equation is then solved for the heat transfer distribution within an interaction, yielding a total uncertainty of about +/- 10 percent. These experimental data are compared with the results of numerical Navier-Stokes solutions which employ a kappa-epsilon turbulence model. Finally, a simplified form of the peak heat transfer correlation for fin interactions is suggested.

Lee, Y.↗

DOE OSTI2024

coh3

CoH3 (CoH ver.3) is an optical model, exciton pre-equilibrium, and Hauser-Feshbach statistical model code, which calculates nuclear reaction cross sections for medium to heavy targets in the keV to MeV energy region. This program is written in standard C++, divided into approximately 200 source and header files. CoH solves the Schroedinger equation for optical potentials defined in the code, and calculates differential elastic scattering, reaction, and total cross sections, for neutron, proton, deuteron, triton, 3He, and alpha-particle. Deformed optical potentials are solved with the coupled-channels method, in which the ground state rotational band members, or vibrational phonon states are coupled. The optical model gives particle transmission coefficients that are fed into the statistical model calculations. CoH includes the pre-equilibrium model (exciton model), the direct/semidirect capture model, and the multi-stage Hauser-Feshbach statistical decay with width fluctuation correction based on the Gaussian orthogonal ensemble. For weakly coupled levels, the DWBA (distorted wave Born approximation) method is used to calculate the direct inelastic scattering process to the excited states.

Kawano, Toshihiko↗

DOE OSTI2021

CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems

Molecular modeling and simulation are invaluable tools for nanoscience that predict mechanical, physicochemical, and thermodynamic properties of nanomaterials and provide molecular-level insight into underlying mechanisms. However, building nanomaterial-containing systems remains challenging due to the lack of reliable and integrated cyberinfrastructures. Here we present Nanomaterial Modeler in CHARMM-GUI, a web-based cyberinfrastructure that provides an automated process to generate various nanomaterial models, associated topologies, and configuration files to perform state-of- the-art molecular dynamics simulations using most simulation packages. The nanomaterial models are based on the interface force field, one of the most reliable force fields (FFs). The transferability of nanomaterial models among the simulation programs was assessed by single-point energy calculations, which yielded 0.01% relative absolute energy differences for various surface models and equilibrium nanoparticle shapes. Three widely used Lennard-Jones (LJ) cutoff methods are employed to evaluate the compatibility of nanomaterial models with respect to conventional biomolecular FFs: simple truncation at r = 12 Å (12 cutoff), force-based switching over 10 to 12 Å (10-12 fsw), and LJ particle mesh Ewald with no cutoff (LJPME). The FF parameters with these LJ cutoff methods are extensively validated by reproducing structural, interfacial, and mechanical properties. As a result, we find that the computed density and surface energies are in good agreement with reported experimental results, although the simulation results increase in the following order: 10-12 fsw <12 cutoff < LJPME. Nanomaterials in which LJ interactions are a major component show relatively higher deviations (up to 4% in density and 8% in surface energy differences) compared with the experiment. Nanomaterial Modeler's capability is also demonstrated by generating complex systems of nanomaterial-biomolecule and nanomaterial-polymer interfaces with a combination of existing CHARMM-GUI modules. We hope that Nanomaterial Modeler can be used to carry out innovative nanomaterial modeling and simulations to acquire insight into the structure, dynamics, and underlying mechanisms of complex nanomaterial-containing systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1986

Assessment of two-temperature kinetic model for dissociating and weakly-ionizing nitrogen

The validity of the author's two-temperature, chemical/kinetic model which the author has recently improved is assessed by comparing the calculated results with the existing experimental data for nitrogen in the dissociating and weakly ionizing regime produced behind a normal shock wave. The computer program Shock Tube Radiation Program (STRAP) based on the two-temperature model is used in calculating the flow properties behind the shock wave and the Nonequilibrium Air Radiation (NEQAIR) program, in determining the radiative characteristics of the flow. Both programs were developed earlier. Comparison is made between the calculated and the existing shock tube data on (1) spectra in the equilibrium region, (2) rotational temperature of the N2(+) B state, (3) vibrational temperature of the N2(+) B state, (4) electronic excitation temperature of the N2 B state, (5) the shape of time-variation of radiation intensities, (6) the times to reach the peak in radiation intensity and equilibrium, and (7) the ratio of nonequilibrium to equilibrium radiative heat fluxes. Good agreement is seen between the experimental data and the present calculation except for the vibrational temperature. A possible reason for the discrepancy is given.

Park, C.↗

NASA NTRS1990

The chemical effects of the Martian environment on power system component materials: A theoretical approach

In the foreseeable future, an expedition may be undertaken to explore the planet Mars. Some of the power source options being considered for such a mission are photovoltaics, regenerative fuel cells and nuclear reactors. In addition to electrical power requirements, environmental conditions en route to Mars, in the planetary orbit and on the Martian surface must be simulated and studied in order to anticipate and solve potential problems. Space power systems components such as photovoltaic arrays, radiators, and solar concentrators may be vulnerable to degradation in the Martian environment. Natural characteristics of Mars which may pose a threat to surface power systems include high velocity winds, dust, ultraviolet radiation, large daily variation in temperature, reaction to components of the soil, atmosphere and atmospheric condensates as well as synergistic combinations. Most of the current knowledge of the characteristics of the Martian atmosphere and soil composition was obtained from the Viking 1 and 2 missions in 1976. A theoretical study is presented which was used to assess the effects of the Martian atmospheric conditions on the power systems components. A computer program written at NASA-Lewis for combustion research that uses a free energy minimization technique was used to calculate chemical equilibrium for assigned thermodynamic states of temperature and pressure. The power system component materials selected for this study include: silicon dioxide, silicon, carbon, copper, and titanium. Combinations of environments and materials considered include: (1) Mars atmosphere with power surface material, (2) Mars atmosphere and dust component with power surface material, and (3) Mars atmosphere and hydrogen peroxide or superoxide or superoxide with power system material. The chemical equilibrium calculations were performed at a composition ratio (oxidant to reactant) of 100. The temperature for the silicon dioxide material and silicon, which simulate photovoltaic cells, were 300 and 400 K; for carbon, copper and titanium, which simulate radiator surfaces, 300, 500, and 1000 K. All of the systems were evaluated at pressures of 700, 800, and 900 Pa, which stimulate the Martian atmosphere.

Perez-Davis, Marla E.↗

NASA NTRS1991

Gas-phase measurements of combustion interaction with materials for radiation-cooled chambers

Foil samples of Ir and Pt are exposed to combustion products in a controlled premixed environment at atmospheric pressure. Electrical heating of the foil samples is used to control the surface temperature and to elevate it above the radiative equilibrium temperature within the test apparatus. Profiles of temperature and OH concentration in the boundary layer adjacent to the specimen surface are measured by laser-induced fluorescence. Measured OH concentrations are significantly higher than equilibrium concentrations calculated for the known mixture ratio and the measured temperature profiles. This result indicates that superequilibrium concentrations of H-atoms and O-atoms are also present in the boundary layer, due to partial equilibrium of the rapid binary reactions of the H2/O2 chemical kinetic system. These experiments are conducted as part of a research program to investigate fundamental aspects of the interaction of combustion gases with advanced high-temperature materials for radiation-cooled thrusters.

Barlow, R. S.↗

NASA NTRS1992

Large eddy simulations and direct numerical simulations of high speed turbulent reacting flows

The basic objective of this research is to extend the capabilities of Large Eddy Simulations (LES) and Direct Numerical Simulations (DNS) for the computational analyses of high speed reacting flows. In the efforts related to LES, we were primarily involved with assessing the performance of the various modern methods based on the Probability Density Function (PDF) methods for providing closures for treating the subgrid fluctuation correlations of scalar quantities in reacting turbulent flows. In the work on DNS, we concentrated on understanding some of the relevant physics of compressible reacting flows by means of statistical analysis of the data generated by DNS of such flows. In the research conducted in the second year of this program, our efforts focused on the modeling of homogeneous compressible turbulent flows by PDF methods, and on DNS of non-equilibrium reacting high speed mixing layers. Some preliminary work is also in progress on PDF modeling of shear flows, and also on LES of such flows.

Givi, P.↗

NASA NTRS1994

COSMIC monthly progress report

Activities of the Computer Software Management and Information Center (COSMIC) are summarized for the month of May 1994. Tables showing the current inventory of programs available from COSMIC are presented and program processing and evaluation activities are summarized. Nine articles were prepared for publication in the NASA Tech Brief Journal. These articles (included in this report) describe the following software items: (1) WFI - Windowing System for Test and Simulation; (2) HZETRN - A Free Space Radiation Transport and Shielding Program; (3) COMGEN-BEM - Composite Model Generation-Boundary Element Method; (4) IDDS - Interactive Data Display System; (5) CET93/PC - Chemical Equilibrium with Transport Properties, 1993; (6) SDVIC - Sub-pixel Digital Video Image Correlation; (7) TRASYS - Thermal Radiation Analyzer System (HP9000 Series 700/800 Version without NASADIG); (8) NASADIG - NASA Device Independent Graphics Library, Version 6.0 (VAX VMS Version); and (9) NASADIG - NASA Device Independent Graphics Library, Version 6.0 (UNIX Version). Activities in the areas of marketing, customer service, benefits identification, maintenance and support, and dissemination are also described along with a budget summary.

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