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  • 1995-1999  (637)
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  • 1
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    In:  CASI
    Publication Date: 2018-06-05
    Description: Coupled Aerodynamic-Thermal-Structural (CATS) Analysis is a focused effort within the Numerical Propulsion System Simulation (NPSS) program to streamline multidisciplinary analysis of aeropropulsion components and assemblies. Multidisciplinary analysis of axial-flow compressor performance has been selected for the initial focus of this project. CATS will permit more accurate compressor system analysis by enabling users to include thermal and mechanical effects as an integral part of the aerodynamic analysis of the compressor primary flowpath. Thus, critical details, such as the variation of blade tip clearances and the deformation of the flowpath geometry, can be more accurately modeled and included in the aerodynamic analyses. The benefits of this coupled analysis capability are (1) performance and stall line predictions are improved by the inclusion of tip clearances and hot geometries, (2) design alternatives can be readily analyzed, and (3) higher fidelity analysis by researchers in various disciplines is possible. The goals for this project are a 10-percent improvement in stall margin predictions and a 2:1 speed-up in multidisciplinary analysis times. Working cooperatively with Pratt & Whitney, the Lewis CATS team defined the engineering processes and identified the software products necessary for streamlining these processes. The basic approach is to integrate the aerodynamic, thermal, and structural computational analyses by using data management and Non-Uniform Rational B-Splines (NURBS) based data mapping. Five software products have been defined for this task: (1) a primary flowpath data mapper, (2) a two-dimensional data mapper, (3) a database interface, (4) a blade structural pre- and post-processor, and (5) a computational fluid dynamics code for aerothermal analysis of the drum rotor. Thus far (1) a cooperative agreement has been established with Pratt & Whitney, (2) a Primary Flowpath Data Mapper has been prototyped and delivered to General Electric Aircraft Engines and Pratt & Whitney for evaluation, (3) a collaborative effort has been initiated with the National Institute of Standards and Testing to develop a Standard Data Access Interface, and (4) a blade tip clearance capability has been implemented into the Structural Airfoil Blade Engineering Routine (SABER) program. We plan to continue to develop the data mappers and data management tools. As progress is made, additional efforts will be made to apply these tools to propulsion system applications.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 2
    Publication Date: 2018-06-05
    Description: Gaseous oxygen and hydrogen propellants used in a special engine energy cycle called Full-Flow Staged Combustion are believed to significantly increase the lifetime of a rocket engine's pumps. The cycle can also reduce the operating temperatures of the engine. Improving the lifetime of the hardware reduces its overall maintenance and operations costs, and is critical to reducing costs for the joint NASA/industry Reusable Launch Vehicle (RLV). The work in this project will demonstrate the performance and lifetime of one-element and many-element combustors with gaseous O2/H2 injectors. This work supporting the RLV program is a cooperative venture of the NASA Lewis Research Center, the NASA Marshall Space Flight Center, Rocketdyne, and the Pennsylvania State University. Information about gas-gas rocket injector performance with O2/H2 is very limited. Because of this paucity of data, new testing is needed to improve the knowledge base for testing and designing new injectors for the RLV and to improve computer models that predict the combusting gas flows of new injector designs. Therefore, detailed observations and measurements of the combusting flow from many-element injectors in a rocket engine are being sought. These observations and measurements will be done with three different tools: schlieren photography, ultraviolet imaging, and Raman spectroscopy. The schlieren system will take photos of the density differences in combusting flow, the ultraviolet movies will determine the location of the hydroxyl (OH) radical in the combustion flow, and the Raman spectroscopic measurements will provide the combustion temperature and amount of water (H2O), hydrogen (H2), and oxygen (O2) in the combustor. Marshall is providing overall program management, design and computational fluid dynamics (CFD) analyses, as well as funding for the work at Penn State. An existing, windowed combustor and several injectors will be provided by Rocketdyne--two injectors for the initial screening tests and one with an optimized design based on the best design found in the screening tests. Lewis will provide a nozzle and several injectors for the screening test program. The configuration of the injectors will be based on a design chosen by all the participants, and their elements will be based on the coaxial and impinging flow. Lewis also will provide the instrumentation for the flow-field measurements: schlieren, ultraviolet imaging, and Raman spectroscopy. In addition, thermocouples will measure heat flow on the injector face. Other traditional measurements of rocket performance will be made as well: chamber pressure, mass flow of each propellant, purge flow, and the barrier cooling gas flow. Penn State will conduct single-element testing with the injector elements from both the Rocketdyne and the jointly designed injectors. A wide variety of traditional and nontraditional injector designs will be tested in this program. The results will be valuable in computational fluid dynamics code validation and overall rocket combustion efficiency measurements. Correlations between combustion efficiency, laser measurements of species, and ultraviolet and visible light photography will also be made. Thus far, several different single-element injectors have been tested at Penn State and Lewis. The experimental setup of a rocket engine with a viewing window is shown. The combusting flow is shown. The results are helping engineers design the many element injectors.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 3
    Publication Date: 2018-06-05
    Description: The spatial evolution of three-dimensional disturbances in an attachment-line boundary layer is computed by direct numerical simulation of the unsteady, incompressible Navier-Stokes equations. Disturbances are introduced into the boundary layer by harmonic sources that involve unsteady suction and blowing through the wall. Various harmonic- source generators are implemented on or near the attachment line, and the disturbance evolutions are compared. Previous two-dimensional simulation results and nonparallel theory are compared with the present results. The three-dimensional simulation results for disturbances with quasi-two-dimensional features indicate growth rates of only a few percent larger than pure two-dimensional results; however, the results are close enough to enable the use of the more computationally efficient, two-dimensional approach. However, true three-dimensional disturbances are more likely in practice and are more stable than two-dimensional disturbances. Disturbances generated off (but near) the attachment line spread both away from and toward the attachment line as they evolve. The evolution pattern is comparable to wave packets in at-plate boundary-layer flows. Suction stabilizes the quasi-two-dimensional attachment-line instabilities, and blowing destabilizes these instabilities; these results qualitatively agree with the theory. Furthermore, suction stabilizes the disturbances that develop off the attachment line. Clearly, disturbances that are generated near the attachment line can supply energy to attachment-line instabilities, but suction can be used to stabilize these instabilities.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 4
    Publication Date: 2018-06-05
    Description: Results are presented of an experimental program that investigated the use of a secondary air stream to control the amount of flow through a convergent-divergent nozzle. These static tests utilized high pressure, ambient temperature air that was injected at the throat of the nozzle through an annular slot. Multiple injection slot sizes and injection angles were tested. The introduction of secondary flow was made in an opposing direction to the primary flow and the resulting flow field caused the primary stream to react as though the physical throat size had been reduced. The percentage reduction in primary flow rate was generally about twice the injected flow rate. The most effective throttling was achieved by injecting through the smallest slot in an orientation most nearly opposed to the approaching primary flow. Thrust edliciency, as measured by changes in nozzle thrust coefficient, was highest at high nozzle pressure ratios, NPR. The static test results agreed with predictions obtained prior from PABSD, a fully viscous computational fluid dynamics program. Since use of such an injection system on gas turbine engine exhaust nozzles would be primarily at high NPRs, it was concluded that fluidic control holds promise for reducing nozzle weight and complexity on future systems.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 5
    Publication Date: 2018-06-05
    Description: The component integration of a class of hypersonic high-lift configurations known as waveriders into hypersonic cruise vehicles was evaluated. A wind-tunnel model was developed which integrates realistic vehicle components with two waverider shapes, referred to as the straight-wing and cranked-wing shapes. Both shapes were conical-flow-derived waveriders for a design Mach number of 4.0. Experimental data and limited computational fluid dynamics (CFD) predictions were obtained over a Mach number range of 1.6 to 4.63 at a Reynolds number of 2.0 x 10(exp 6) per foot. The CFD predictions and flow visualization data confirmed the shock attachment characteristics of the baseline waverider shapes and illustrated the waverider flow-field properties. Experimental data showed that no significant performance degradations, in terms of maximum lift-to-drag ratios, occur at off-design Mach numbers for the waverider shapes and the integrated configurations. A comparison of the fully-integrated waverider vehicles to the baseline shapes showed that the performance was significantly degraded when all of the components were added to the waveriders, with the most significant degradation resulting from aftbody closure and the addition of control surfaces. Both fully-integrated configurations were longitudinally unstable over the Mach number range studied with the selected center of gravity location and for unpowered conditions. The cranked-wing configuration provided better lateral-directional stability characteristics than the straight-wing configuration.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 6
    Publication Date: 2018-06-05
    Description: A new procedure seeks to combine the thin-layer Navier-Stokes solver LAURA with the parabolized Navier-Stokes solver UPS for the aerothermodynamic solution of chemically-reacting air flow fields. The interface protocol is presented and the method is applied to two slender, blunted shapes. Both axisymmetric and three-dimensional solutions are included with surface pressure and heat transfer comparisons between the present method and previously published results. The case of Mach 25 flow over an axisymmetric six degree sphere-cone with a non-catalytic wall is considered to 100 nose radii. A stability bound on the marching step size was observed with this case and is attributed to chemistry effects resulting from the non-catalytic wall boundary condition. A second case with Mach 28 flow over a sphere-cone-cylinder-flare configuration is computed at both two and five degree angles of attack with a fully-catalytic wall. Surface pressures are seen to be within five percent with the present method compared to the baseline LAURA solution and heat transfers are within 10 percent. The effect of grid resolution is investigated in both the radial and streamwise directions. The procedure demonstrates significant, order of magnitude reductions in solution time and required memory for the three-dimensional case in comparison to an all thin-layer Navier-Stokes solution.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 7
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    In:  CASI
    Publication Date: 2018-06-02
    Description: The Advanced Subsonic Combustion Rig (ASCR), a unique, state-of-the-art facility for conducting combustion research, is located at the NASA Lewis Research Center in Cleveland, Ohio. The ASCR, which was nearing completion at the close of 1995, will be capable of simulating the very high pressure and high temperature conditions that are expected to exist in future, advanced subsonic gas turbine (jet) engines. Future environmental regulations will require much cleaner burning (more environmentally friendly) aircraft engines. The ASCR is critical to the development of these cleaner engines. It will allow NASA and U.S. aircraft engine industry researchers to identify and test promising clean-burning gas turbine engine combustion concepts under the pressure and temperature conditions that are expected for those future engines. Combustion processes will be investigated for a variety of next-generation aircraft engine sizes, including engines for large, long-range aircraft (with typical trip lengths of about 3000 mi) and for regional aircraft (with typical trip lengths of about 400 mi). The ASCR design was conceived and initiated in 1993, and fabrication and construction of the rig, including the buildup of an advanced control room, took place throughout 1994 and 1995. In early 1996, the ASCR will be operational for obtaining research data. The ASCR is an intricate part of the NASA Advanced Subsonic Technology Propulsion Program, which is aimed at developing technologies critical to the next generation of gas turbine engines. This effort is in collaboration with the U.S. aircraft gas turbine engine industry. A goal of the Advanced Subsonic Technology Propulsion Program is to develop combustion concepts and technologies that will result in gas turbine engines that produce 50 percent less nitrous oxide (NO_x) pollutants than current engines do. This facility is unique in its capability to simulate advanced subsonic engine pressure, temperature, and air flow rate conditions. Specifically, it will provide operating temperatures up to 3000 F and pressures up to 60 atm. Under these conditions, researchers will obtain detailed combustion temperatures, pressures, and flow velocities as well as the chemical compositions of the combustion exhaust. Researchers also will be able to obtain data by using nonintrusive laser diagnostic techniques. The ASCR facility will be used to test fundamental combustion configurations (flametubes) for detailed study of combustion processes, to test sectors of gas turbine combustors to study the process in configurations more like those of aircraft engines, and in some cases to test full annular combustors.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 8
    Publication Date: 2018-06-02
    Description: 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.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 9
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    In:  CASI
    Publication Date: 2018-06-02
    Description: The traditional approach to the design of engine inlets for commercial transport aircraft is a tedious process that ends with a less-than-optimum design. With the advent of high-speed computers and the availability of more accurate and reliable computational fluid dynamics (CFD) solvers, numerical optimization processes can effectively be used to design an aerodynamic inlet lip that enhances engine performance. The designers' experience at Boeing Corporation showed that for a peak Mach number on the inlet surface beyond some upper limit, the performance of the engine degrades excessively. Thus, our objective was to optimize efficiency (minimize the peak Mach number) at maximum cruise without compromising performance at other operating conditions. Using a CFD code NPARC, the NASA Lewis Research Center, in collaboration with Boeing, developed an integrated procedure at Lewis to find the optimum shape of a subsonic inlet lip and a numerical optimization code, ADS. We used a GRAPE-based three-dimensional grid generator to help automate the optimization procedure. The inlet lip shape at the crown and the keel was described as a superellipse, and the superellipse exponents and radii ratios were considered as design variables. Three operating conditions: cruise, takeoff, and rolling takeoff, were considered in this study. Three-dimensional Euler computations were carried out to obtain the flow field. At the initial design, the peak Mach numbers for maximum cruise, takeoff, and rolling takeoff conditions were 0.88, 1.772, and 1.61, respectively. The acceptable upper limits on the takeoff and rolling takeoff Mach numbers were 1.55 and 1.45. Since the initial design provided by Boeing was found to be optimum with respect to the maximum cruise condition, the sum of the peak Mach numbers at takeoff and rolling takeoff were minimized in the current study while the maximum cruise Mach number was constrained to be close to that at the existing design. With this objective, the optimum design satisfied the upper limits at takeoff and rolling takeoff while retaining the desirable cruise performance. Further studies are being conducted to include static and cross-wind operating conditions in the design optimization procedure. This work was carried out in collaboration with Dr. E.S. Reddy of NYMA, Inc.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 10
    Publication Date: 2019-07-18
    Description: The Reynolds stress budget in a full developed turbulent channel flow for three Reynolds numbers (Re = 180,395,590) are used to investigate the near wall scaling of various turbulence quantities. We find that as the Reynolds number increases, the extent of the region where the production of the kinetic energy is equal to the dissipation increases. At the highest Reynolds number the region of equilibrium extends from y+ - 120 to y+ = 240. As the Reynolds number increases, we find that wall scaling collapses the budgets for the streamwise fluctuating component, but the budgets for the other two components show Reynolds number dependency.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 48th Annual Meeting, Division of Fluid Dynamics of the American Physical Society; Nov 19, 1995 - Nov 21, 1995; Irvine, CA; United States|Sixth International Symposium on Computational Fluid Dynamics; Sep 04, 1995 - Sep 08, 1995; Lake Tahoe, NV; United States
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  • 11
    Publication Date: 2019-07-18
    Description: Features of chemically reacting separated hypersonic flows are identified and issues concerning their analysis and simulation are discussed. Emphasis is placed on flows of high temperature dissociating and ionizing air and current methods for studying and characterizing these flows, including separation, are reviewed. The aeroassist orbital transfer vehicle and its flight trajectory are used for illustration. Thermochemical nonequilibrium phenomena are emphasized and extension of continuum analysis to the high altitude slip-flow regime is considered.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: VKI Short Course on Capsule Aerothermodynamics; Mar 20, 1995 - Mar 22, 1995; Brussels; Belgium
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  • 12
    Publication Date: 2019-07-18
    Description: A new hybrid preconditioning algorithm will be presented which combines the favorable attributes of incomplete lower-upper (ILU) factorization with the favorable attributes of the approximate inverse method recently advocated by numerous researchers. The quality of the preconditioner is adjustable and can be increased at the cost of additional computation while at the same time the storage required is roughly constant and approximately equal to the storage required for the original matrix. In addition, the preconditioning algorithm suggests an efficient and natural parallel implementation with reduced communication. Sample calculations will be presented for the numerical solution of multi-dimensional advection-diffusion equations. The matrix solver has also been embedded into a Newton algorithm for solving the nonlinear Euler and Navier-Stokes equations governing compressible flow. The full paper will show numerous examples in CFD to demonstrate the efficiency and robustness of the method.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: PARALLEL CFD ''95; Jun 26, 1995 - Jun 29, 1995; Pasadena, CA; United States
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  • 13
    Publication Date: 2019-07-18
    Description: The talk will discuss current work in developing and applying the INS2D and INS3D flow solvers to problems in high-lift aerodynamics, primarily multi-element airfoils. These flow solvers solve the incompressible Navier-Stokes equations using the method of artificial compressibility. High-lift system flowfields are perhaps the most challenging aeronautical configurations for CFD. Difficulties with convergence for multi-element configurations using fine-grid overset meshes has led to research in using Krylov-space iterative matrix solvers. In particular, a Generalized Minimum Residual (GMRES) solver has found to be a dramatic improvement over a previously used Gauss-Seidal line-relaxation solver.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Scientific Computing and Computational Mathematics Seminar; Oct 30, 1995; Stanford, CA; United States
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  • 14
    Publication Date: 2019-07-18
    Description: The status of the three-dimensional parabolized Navier-Stokes solver UPS is described. The UPS code, initiated at NASA Ames Research Center in 1986, continues to develop and evolve through application to supersonic and hypersonic flow fields. Hypersonic applications have motivated enhancement of the physical modeling capabilities of the code, specifically real gas modeling, boundary conditions, and turbulence and transition modeling. The UPS code has also been modified to enhance robustness and efficiency in order to be practically used in concert with an optimization code for supersonic transport design. These developments are briefly described along with some relevant results for generic test problems obtained during verification of the enhancements. Included developments and results have previously been published and widely disseminated domestically.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 6th International Symposium on Computational Fluid Dynamics; Sep 04, 1995 - Sep 08, 1995; Lake Tahoe, CA; United States
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  • 15
    Publication Date: 2019-07-18
    Description: The development of a two-dimensional viscous incompressible flow generated by an off center thin oscillating bd on top of a cavity is studied computationally as a prototype of vortex generators. The lid is placed asymmetrically over the cavity so that the gap size is different on either side of the cavity. An adaptive numerical scheme, based on high resolution viscous vortex methods, is used to integrate the vorticity/velocity formulation of the Navier-Stokes equations with the no-slip boun.lary condition enforced on the lid and cavity walls. Depending on the a amplitude and frequency of the oscillation as well as the the gap size, vorticity is ejected in the fluid above the cavity either from the large and/or the small gap. The results of the computations complement ongoing experimental work.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: DFD95 Meeting of the American Physical Society; Nov 19, 1995 - Nov 21, 1995; Irvine, CA; United States
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  • 16
    Publication Date: 2019-07-18
    Description: Numerous two-and three-dimensional computational simulations were performed for the inlet associated with the combustor model for the hypersonic propulsion experiment in the NASA Ames 16-Inch Shock Tunnel. The inlet was designed to produce a combustor-inlet flow that is nearly two-dimensional and of sufficient mass flow rate for large scale combustor testing. The three-dimensional simulations demonstrated that the inlet design met all the design objectives and that the inlet produced a very nearly two-dimensional combustor inflow profile. Numerous two-dimensional simulations were performed with various levels of approximations such as in the choice of chemical and physical models, as well as numerical approximations. Parametric studies were conducted to better understand and to characterize the inlet flow. Results from the two-and three-dimensional simulations were used to predict the mass flux entering the combustor and a mass flux correlation as a function of facility stagnation pressure was developed. Surface heat flux and pressure measurements were compared with the computed results and good agreement was found. The computational simulations helped determine the inlet low characteristics in the high enthalpy environment, the important parameters that affect the combustor-inlet flow, and the sensitivity of the inlet flow to various modeling assumptions.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 17
    Publication Date: 2019-07-18
    Description: The Burnett equations have been shown to potentially violate the second law of thermodynamics. The objective of this investigation is to correlate the numerical problems experienced by the Burnett equations to the negative production of entropy. The equations have had a long history of numerical instability to small wavelength disturbances. Recently, Zhong corrected the instability problem and made solutions attainable for one dimensional shock waves and hypersonic blunt bodies. Difficulties still exist when attempting to solve hypersonic flat plate boundary layers and blunt body wake flows, however. Numerical experiments will include one-dimensional shock waves, quasi-one dimensional nozzles, and expanding Prandlt-Meyer flows and specifically examine the entropy production for these cases.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 29th AIAA Thermophysics Conference; Jun 19, 1995 - Jun 22, 1995; San Diego, CA; United States
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  • 18
    Publication Date: 2019-07-17
    Description: Computations have been performed on a three-dimensional inlet associated with the NASA Ames combustor model for the hypersonic propulsion experiment in the 16-inch shock tunnel. The 3-dimensional inlet was designed to have the combustor inlet flow nearly two-dimensional and of sufficient mass flow necessary for combustion. The 16-inch shock tunnel experiment is a short duration test with test time of the order of milliseconds. The flow through the inlet is in chemical non-equilibrium. Two test entries have been completed and limited experimental results for the inlet region of the combustor-model are available. A number of CFD simulations, with various levels of simplifications such as 2-D simulations, 3-D simulations with and without chemical reactions, simulations with and without turbulent conditions, etc., have been performed. These simulations have helped determine the model inlet flow characteristics and the important factors that affect the combustor inlet flow and the sensitivity of the flow field to these simplifications. In the proposed paper, CFD modeling of the hypersonic inlet, results from the simulations and comparison with available experimental results will be presented.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 6th International AIAA Aerospace Plane and Hypersonic Technologies Conference; Apr 10, 1995 - Apr 14, 1995; Chatanooga, TN; United States
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  • 19
    Publication Date: 2019-07-18
    Description: A dynamic model is developed to describe the evolution of a vapor bubble growing at a nucleation site on a superheated surface under arbitrary gravity. The bubble is separated from the surface by a thin microlayer and grows due to the evaporation from the microlayer interface. The average thickness of the microlayer increases as the bubble expands along the surface if the evaporation rate is lower than some critical value. The corresponding threshold value of the surface temperature has to be associated with the burn-out crisis. Two main reasons make for bubble separation, which are the buoyancy force and a force caused by the vapor momentum that comes to the bubble with vapor molecules. The latter force is somewhat diminished if condensation takes place at the upper bubble surface in subcooled liquids. The action of the said forces is opposed by inertia of the additional mass of liquid as the bubble center rises above the surface and by inertia of liquid being expelled by the growing bubble in radial directions. An extra pressure force arises due to the liquid inflow into the microlayer with a finite velocity. The last force helps in holding the bubble close to the surface during an initial stage of bubble evolution. Two limiting regimes with distinctly different properties can be singled out, depending on which of the forces that favor bubble detachment dominates. Under conditions of moderately reduced gravity, the situation is much the same as in normal gravity, although the bubble detachment volume increases as gravity diminishes. In microgravity, the buoyancy force is negligible. Then the bubble is capable of staying near the surface for a long time, with intensive evaporation from the microlayer. It suggests a drastic change in the physical mechanism of heat removal as gravity falls below a certain sufficiently low level. Inferences of the model and conclusions pertaining to effects caused on heat transfer processes by changes in bubble hydrodynamics induced by gravity are discussed in connection with experimental evidence, both available in current and in as yet unpublished literature.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 1995 National Heat Transfer Conference; Aug 05, 1995 - Aug 09, 1995; Portland, OR; United States
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  • 20
    Publication Date: 2019-07-18
    Description: When liquid is expelled by a vapor bubble growing at a nucleation site on a superheated surface, a thin microlayer underneath the bubble is left behind. It is evaporated from the free microlayer surface that provides for bubble growth. The average thickness of the microlayer determining the evaporation rate increases with time if the latter does not exceed a threshold value associated with the burn-out crisis. The bubble is described as a spherical segment with its flattened part adjoining the microlayer. This introduces two independent variables - the radius of the spherical part of the bubble surface and the polar angle that defines the relative area of the flattened part. They are to be found out from a set of two strongly nonlinear equations resulting from mass and momentum conservation laws. The first one depends on both microlayer thickness and nonmonotonously changing bubble base area. The second involves two major factors favoring bubble detachment - the buoyancy and a force due to the initial momentum of vapor input into the bubble. The former force depends on gravity whereas the latter one does not. It is why the limiting regimes of bubble evolution that correspond to normal or moderately reduced gravity and to microgravity feature drastically different properties. In the first case, the buoyancy dominates and the bubble evolves in such a manner as to become a full sphere at a moment that can be viewed as that of detachment. The detachment volume grows as gravity decreases. In the second case, the buoyancy is negligible and the bubble stays near the surface, while its volume continues to increase for a sufficiently long time. The findings are discussed in connection with experimental data obtained under different gravity conditions, some unpublished experiments being included. They help to understand why the pool boiling heat transfer coefficient frequently increases as gravity falls down and eventually vanishes.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Euromech Conference on Flows with Phase Transitions; Mar 13, 1995 - Mar 16, 1995; Gottingen; Germany
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  • 21
    Publication Date: 2019-07-18
    Description: The fractional step and the pseudocompressibility methods for the solution of the incompressible Navier-Stokes equations are outlined. The fractional step method is based on finite-volume formulation and uses the pressure and the volume fluxes across the faces of each cell as dependent variables. The momentum equations are solved implicitly and the Poisson equation for the pressure is solved by using the multigrid method. The pseudocompressibility approach uses an implicit-higher-order-upwind differencing scheme for the convective terms together with the Gauss-Seidel line relaxation method. The dependent variables in the pseudocompressibility approach are the pressure and the cartesian velocity components in unstaggered mesh orientation. The 90-degree square duct flow, the wing-tip vortex wake flow and unsteady turbulent flows over an oscillating NACA 0015 airfoil are computed using both the fractional step and the pseudocompressibility methods. The results obtained from two different schemes are compared against experimental measurements.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 12th Computational Fluid Dynamics Conference; Jun 19, 1995 - Jun 22, 1995; San Diego, CA; United States
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  • 22
    Publication Date: 2019-07-13
    Description: The accuracy and efficiency of two types of subiterations in both explicit and implicit Navier-Stokes codes are explored for unsteady laminar circular-cylinder flow and unsteady turbulent flow over an 18-percent-thick circular-arc (biconvex) airfoil. Grid and time-step studies are used to assess the numerical accuracy of the methods. Nonsubiterative time-stepping schemes and schemes with physical time subiterations are subject to time-step limitations in practice that are removed by pseudo time sub-iterations. Computations for the circular-arc airfoil indicate that a one-equation turbulence model predicts the unsteady separated flow better than an algebraic turbulence model; also, the hysteresis with Mach number of the self-excited unsteadiness due to shock and boundary-layer separation is well predicted.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 95-1835 , 13th AIAA Applied Aerodynamics Conference; Jun 19, 1995 - Jun 22, 1995; San Diego, CA; United States
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  • 23
    Publication Date: 2019-07-18
    Description: Some new guidelines on the usage of implicit linear multistep methods (LMMs) as time-dependent approaches for obtaining steady-state numerical solutions in computational fluid dynamics (CFD) are explored. The commonly used implicit LMMs in CFD belong to the class of superstable time discretizations. It can be shown that the nonlinear asymptotic behavior in terms of bifurcation diagrams and basins of attractions of these schemes can provide an improved range of initial data and time step over the linearized stability limit.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: SIAM Conference on Applications of Dynamical Systems; May 21, 1995 - May 24, 1995; Snowbird, UT; United States
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  • 24
    Publication Date: 2019-07-18
    Description: The current study computationally examines one of the principle three-dimensional features of the flow over a high-lift system, the flow associated with a flap edge. Structured, overset grids were used in conjunction with an incompressible Navier-Stokes solver to compute the flow over a two-element high-lift configuration. The computations were run in a fully turbulent mode using the one-equation Baldwin-Barth model. Specific interest was given to the details of the flow in the vicinity of the flap edge, so the geometry was simplified to isolate this region. The geometry consisted of an unswept wing, which spanned a wind tunnel test section, equipped with a single element flap. Two flap configurations were computed; a full-span and a half-span Fowler flap. The chord based Reynolds number was 3.7 million for all cases. The results for the full-span flap agreed with two-dimensional experimental results and verified the method. Grid topologies and related issues for the half-span flap geometry are discussed. Results of the half-span flap case are presented with emphasis on the flow features associated with the flap edge.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 95-0185 , 6th International Symposium on Computational Fluid Dynamics; Sep 04, 1995 - Sep 08, 1995; Lake Tahoe, NV; United States
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  • 25
    Publication Date: 2019-07-18
    Description: This lecture will discuss the computational tools currently available for high-lift multi-element airfoil analysis. It will present an overview of a number of different numerical approaches, their current capabilities, short-comings, and computational costs. The lecture will be limited to viscous methods, including inviscid/boundary layer coupling methods, and incompressible and compressible Reynolds-averaged Navier-Stokes methods. Both structured and unstructured grid generation approaches will be presented. Two different structured grid procedures are outlined, one which uses multi-block patched grids, the other uses overset chimera grids. Turbulence and transition modeling will be discussed.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Short Course on High-Lift Aerodynamics; Jun 23, 1995; San Diego, CA; United States
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  • 26
    Publication Date: 2019-07-18
    Description: An efficient algorithm is presented for computing particle paths, streak lines and time lines in time-dependent flows with moving curvilinear grids. The integration, velocity interpolation and step-size control are all performed in physical space which avoids the need to transform the velocity field into computational space. This leads to higher accuracy because there are no Jacobian matrix approximations or expensive matrix inversions. Integration accuracy is maintained using an adaptive step-size control scheme which is regulated by the path line curvature. The problem of cell-searching, point location and interpolation in physical space is simplified by decomposing hexahedral cells into tetrahedral cells. This enables the point location to be done analytically and substantially faster than with a Newton-Raphson iterative method. Results presented show this algorithm is up to six times faster than particle tracers which operate on hexahedral cells yet produces almost identical particle trajectories.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Visualization ''95; Oct 30, 1995 - Nov 03, 1995; Atlanta, GA; United States
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  • 27
    Publication Date: 2019-07-18
    Description: Scientific visualization serves the dual purpose of exploration and exposition of the results of numerical simulations of fluid flow. Along with the basic visualization process which transforms source data into images, there are four additional components to a complete visualization system: Source Data Processing, User Interface and Control, Presentation, and Information Management. The requirements imposed by the desired mode of operation (i.e. real-time, interactive, or batch) and the source data have their effect on each of these visualization system components. The special requirements imposed by the wide variety and size of the source data provided by the numerical simulation of fluid flow presents an enormous challenge to the visualization system designer. We describe the visualization system components including specific visualization techniques and how the mode of operation and source data requirements effect the construction of computational fluid dynamics visualization systems.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 28
    Publication Date: 2019-07-18
    Description: Homogeneous turbulent flows with various combinations of strain-rate, rotation rate and coriolis force capture some important aspects of more complex flows with streamline curvature and rotation. Presently, a situation is considered in which as a box of turbulence rotates, strain axes rotate with it. This is to be contrasted with the elliptic streamline flow in which the strain axes are fixed in an inertial frame. The elliptic flow is known to exhibit (inviscid) growth of turbulent energy and one might expect even more rapid growth with the strain-axes following the box. Instead, it is found that the sign of the Reynolds shear stress is reversed leading to a negative production term for turbulent energy. Partial understanding of the phenomenon is obtained from a consideration of the rotation of inertial waves relative to the strain axes as well as the "pressure-less" RDT argument put forward by Cambon etal. [J. Fluid Mech, 278, 175]. Some comparisons with the predictions of second-order closure models will be presented.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: DFD95 Meeting of the American Physical Society; Nov 19, 1995 - Nov 21, 1995; Irvine, CA; United States
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  • 29
    Publication Date: 2019-07-18
    Description: The pacing items to reach the highly desirable goal of obtaining computationally accurate flow simulation of a wingtip vortex include; super-computer development, solver accuracy, grid generation and turbulence modeling. In these four areas, many advances have been made but the fact remains that most wing computations are, at best, five percent accurate (in drag coefficient, for example). This level of accuracy has been sufficient for many purposes such as airfoil design, rudimentary wing design, and some forms of optimization. However, this accuracy level will not allow commercial aircraft designers to extract the remaining few percent of efficiency theoretically possible for conventional aircraft configurations. Thus further research is needed, particularly in the areas of solver development and turbulence modeling, to advance the state of the art of viscous computational techniques as applied to problems in aerodynamics. During the course of this study, a substantial amount of measured and computed results have been acquired. In this paper, only a small selection of experimental and computational results will be presented. This paper will outline and discuss a simulation procedure for a wingtip vortex flow analysis using the method of artificial compressibility to solve the three-dimensional, incompressible, Navier-Stokes equations (INS3D-UP).
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Sixth International Symposium on Computational Fluid Dynamics; Sep 04, 1995 - Sep 08, 1995; Lake Tahoe, NV; United States
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  • 30
    Publication Date: 2019-07-18
    Description: A new technology has been developed for remote visualization that provides remote, 3D, high resolution, dynamic, interactive viewing of scientific data (such as fluid dynamics simulations or measurements). Based on this technology, some World Wide Web sites on the Internet are providing fluid dynamics data for educational or testing purposes. This technology is also being used for remote collaboration in joint university, industry, and NASA projects in computational fluid dynamics and wind tunnel testing. Previously, remote visualization of dynamic data was done using video format (transmitting pixel information) such as video conferencing or MPEG movies on the Internet. The concept for this new technology is to send the raw data (e.g., grids, vectors, and scalars) along with viewing scripts over the Internet and have the pixels generated by a visualization tool running on the viewer's local workstation. The visualization tool that is currently used is FAST (Flow Analysis Software Toolkit).
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Sixth International Symposium on Computational Fluid Dynamics; Sep 04, 1995 - Sep 08, 1995; Lake Tahoe, NV; United States
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  • 31
    Publication Date: 2019-07-18
    Description: Aeroelasticity that involves strong coupling of fluids, structures and controls is an important element in designing an aircraft. Computational aeroelasticity using low fidelity methods such as the linear aerodynamic flow equations coupled with the modal structural equations are well advanced. Though these low fidelity approaches are computationally less intensive, they are not adequate for the analysis of aircraft which can experience complex flow/structure interactions. Supersonic transports can experience vortex induced aeroelastic oscillations whereas subsonic transports can experience transonic buffet associated structural oscillations. Both aircraft may experience a dip in the flutter speed at the transonic regime. For accurate aeroelastic computations at these complex fluid/structure interaction situations, high fidelity equations such as the Navier-Stokes for fluids and the finite-elements for structures are needed. Using these high fidelity methods, design quantities such as structural stresses can be directly computed. Computations using these high fidelity equations require state-of-the-art large computational resources. This paper will describe the transition from potential equations to Euler/Navier-Stokes equations for fluids and from modal equations to finite element equations for structures. Complexities associated with grids for moving control surfaces will be discussed. All contents of the paper will be limited to those already presented at domestic conferences within U.S. such as those sponsored by AIAA. It will not include any materials related to HPCCP computational work.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 15th International Conference in Fluid Dynamics; Jun 24, 1996 - Jun 28, 1996; Monterey, CA; United States
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  • 32
    Publication Date: 2019-07-18
    Description: The influence or rotation on the spectral energy transfer of homogeneous turbulence is investigated in this paper. Given the fact that linear dynamics, e.g. the inertial waves regime tackled in an RDT (Rapid Distortion Theory) fashion, cannot Affect st homogeneous isotropic turbulent flow, the study of nonlinear dynamics is of prime importance in the case of rotating flows. Previous theoretical (including both weakly nonlinear and EDQNM theories), experimental and DNS (Direct Numerical Simulation) results are gathered here and compared in order to give a self-consistent picture of the nonlinear effects of rotation on tile turbulence. The inhibition of the energy cascade, which is linked to a reduction of the dissipation rate, is shown to be related to a damping due to rotation of the energy transfer. A model for this effect is quantified by a model equation for the derivative-skewness factor, which only involves a micro-Rossby number Ro(sup omega) = omega'/(2(OMEGA))-ratio of rms vorticity and background vorticity as the relevant rotation parameter, in accordance with DNS and EDQNM results fit addition, anisotropy is shown also to develop through nonlinear interactions modified by rotation, in an intermediate range of Rossby numbers (Ro(omega) = (omega)' and Ro(omega)w greater than 1), which is characterized by a marco-Rossby number Ro(sup L) less than 1 and Ro(omega) greater than 1 which is characterized by a macro-Rossby number based on an integral lengthscale L and the micro-Rossby number previously defined. This anisotropy is mainly an angular drain of spectral energy which tends to concentrate energy in tile wave-plane normal to the rotation axis, which is exactly both the slow and the two-dimensional manifold. In Addition, a polarization of the energy distribution in this slow 2D manifold enhances horizontal (normal to the rotation axis) velocity components, and underlies the anisotropic structure of the integral lengthscales. Finally is demonstrated the ability of a generalized EDQNM (Eddy Damped Quasi-Normal Markovian) model to predict the underlying spectral transfer structure and all the subsequent developments of classic anisotropy indicators in physical space, when compared to recent LES results. Even if the applications mainly concern developed strong turbulence, a particular emphasis is given to the strong formal analogy of this EDQNM2 model with recent weakly nonlinear approaches to wave-turbulence.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 33
    Publication Date: 2019-07-18
    Description: ElVis is a prototype system with allows for the interactive visualization of unsteady fluid flow. The increasing computational power applied to fluid dynamics simulations presents the enormous challenge to the visualization system designer to apply a wide range of technologies to the analysis process with ever increasing demands on performance. Visualization of the results of unsteady fluid flow simulations presents the challenge of exploring very large and complex data sets. Since exploration is a trial and error process, it is of utmost importance that the time required to execute a trial (i.e., create a visualization) be at a minimum in order to provide real time interaction.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: ICASE/LaRC Symposium on Visualizing Time-Varying Data; Sep 18, 1995 - Sep 19, 1995; Williamsburg, VA; United States
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  • 34
    Publication Date: 2019-07-18
    Description: Several two-equation turbulence models are compared to data from direct numerical simulations (DNS) of the homogeneous elliptic streamline flow, which combines rotation and strain. The models considered include standard two-equation models and models with corrections for rotational effects. Most of the rotational corrections modify the dissipation rate equation to account for the reduced dissipation rate in rotating turbulent flows, however, the DNS data shows that the production term in the turbulent kinetic energy equation is not modeled correctly by these models. Nonlinear relations for the Reynolds stresses are considered as a means of modifying the production term. Implications for the modeling of turbulent vortices will be discussed.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: DFD95 Meeting of the American Physical Society; Nov 19, 1995 - Nov 21, 1995; Irvine, CA; United States
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  • 35
    Publication Date: 2019-07-18
    Description: Axisymmetric flows within shock tubes and expansion tubes are simulated including the effects of finite rate chemistry and both laminar and turbulent boundary layers. The simulations demonstrate the usefulness of computational fluid dynamics for characterizing the flows in high enthalpy pulse facilities. The modeling and numerical requirements necessary to simulate these flows accurately are also discussed. Although there is a large body of analysis which explains and quantifies the boundary layer growth between the shock and the interface in a shock tube, there is a need for more detailed solutions. Phenomena such as thermochemical nonequilibrium. or turbulent transition behind the shock are excluded in the assumptions of Mirels' analysis. Additionally there is inadequate capability to predict the influence of the boundary layer on the expanded gas behind the interface. Quantifying the gas in this region is particularly important in expansion tubes because it is the location of the test gas. Unsteady simulations of the viscous flow in shock tubes are computationally expensive because they must follow features such as a shock wave over the length of the facility and simultaneously resolve the small length scales within the boundary layer. As a result, efficient numerical algorithms are required. The numerical approach of the present work is to solve the axisymmetric gas dynamic equations using an finite-volume formulation where the inviscid fluxes are computed with a upwind TVD scheme. Multiple species equations are included in the formulation so that finite-rate chemistry can be modeled. The simulations cluster grid points at the shock and interface and translate this clustered grid with these features to minimize numerical errors. The solutions are advanced at a CFL number of less than one based on the inviscid gas dynamics. To avoid limitations on the time step due to the viscous terms, these terms are treated implicitly. This requires a block tri-diagonal matrix inversion along each line of cells normal to the wall. The cost of this inversion is more than offset by the larger allowable time step. The source terms representing the finite-rate chemical kinetics are also treated implicitly. An algebraic turbulence model for compressible flow is used. The flow in a low pressure shock tube is computed and the results are compared with Mirels'analysis. The driven gas is nitrogen at 70 Pa, and the incident shock speed is approximately 2.9 km/sec so that there is little dissociation. The simulations include a laminar boundary layer and are run until the limiting flow regime is achieved. At this limit, the shock and interface travel at the same velocity because the amount of driven gas between these two features remains the same: the mass flow across the shock is equal to the mass of gas being entrained at the interface by the boundary layer. Simulations with several grids are presented to establish the grid independence of the solution, Good agreement is achieved between Mirels' correlations and the computations. This is expected since the flow conditions are chosen to be consistent with the assumptions used in Mirels' analysis. This comparison adds credibility to the numerical approach and highlights some of the differences between the theory and the detailed simulations. In addition, simulations of the HYPULSE expansion tube are presented for two operating conditions and the computations are compared to experimental data. The operating gas for both cases is nitrogen. One test condition is at a total enthalpy of 15.2 MJ/Kg and a relatively low pressure of 2 kPa. This case is characterized by a laminar boundary layer and significant chemical nonequilibrium. in the acceleration gas. The second test condition is at a total enthalpy of 10.2 MJ/Kg and a pressure of 38 kPa and is characterized by a turbulent boundary layer. The simulations compare well with experiment and reveal that the nonuniformity in pressure observed during the test time is related to variations in the boundary layer displacement thickness.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 20th International Symposium on Shock Waves; Jul 23, 1995 - Jul 28, 1995; Pasadena, CA; United States
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  • 36
    Publication Date: 2019-07-18
    Description: We consider an isolated bubble boiling regime in which vapour bubbles are intermittently produced at a prearranged set of nucleation site on an upward facing overheated wall plane. In this boiling regime, the bubbles depart from the wall and move as separate entities. Except in the matter of rise velocity, the bubbles do not interfere and are independent of one another. However, the rise velocity is dependent on bubble volume concentration in the bulk. Heat transfer properties specific to this regime cannot be described without bubble detachment size, and we apply our previously developed dynamic theory of vapour bubble growth and detachment to determine this size. Bubble growth is presumed to be thermally controlled. Two limiting cases of bubble evolution are considered: the one in which buoyancy prevails in promoting bubble detachment and the one in which surface tension prevails. We prove termination of the isolated regime of pool nucleate boiling to result from one of the four possible causes, depending on relevant parameters values. The first cause consists in the fact that the upward flow of rising bubbles hampers the downward liquid flow, and under certain conditions, prevents the liquid from coming to the wall in an amount that would be sufficient to compensate for vapour removal from the wall. The second cause is due to the lateral coalescence of growing bubbles that are attached to their corresponding nucleation sites, with ensuing generation of larger bubbles and extended vapour patches near the wall. The other two causes involve longitudinal coalescence either 1) immediately in the wall vicinity, accompanied by the establishment of the multiple bubble boiling regime, or 2) in the bulk, with the formation of vapour columns. The longitudinal coalescence in the bulk is shown to be the most important cause. The critical wall temperature and the heat flux density associated with isolated bubble regime termination are found to be functions of the physical and operating parameters and are discussed in detail.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 37
    Publication Date: 2019-07-18
    Description: Flow uniformity in a high enthalpy facility is investigated. The scramjet research facility is composed of a rectangular combustor duct connected to a 100 MW electric arc air heater. The Mach 3.3 flow is accelerated through a two-dimensional contoured nozzle. Instream measurements were made with water-cooled Pitot probes and stagnation point heat flux gages at stream enthalpy levels ranging from 4 to 7 Mj/kg. Flow surveys were made on the flow centerline and off centerline in order to measure the three dimensional uniformity of the flow in the rectangular duct. Measurements indicated that although the flow in the aspect ratio 6:1 duct was relatively uniform on the centerline, three dimensional viscous effects were apparent near the corners. Flow through the nozzle and constant area duct was modeled computationally using a two dimensional, Navier-Stokes, reacting gas code. The computations predict that the flow in the test section is in vibrational equilibrium. The computed and measured Pitot pressure and heat flux profiles are in reasonable agreement with the experimental data.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 38
    Publication Date: 2019-07-18
    Description: One concept for high lift aerodynamics is the trapped-vortex. Recently it has been suggested that several spoilers located at different chordwise locations on an airfoil could be deployed to form several cavities in the chordwise direction. This may provide a means of increasing upper surface camber and thereby increase wing lift. It is envisioned that the cavities would be located on an airfoil in its pressure recovery region. Investigations of the effect of one or more cavities on the adjacent boundary layer in an adverse boundary layer were not found in a literature survey. Since flow separation can be caused by flow over cavities, boundary layer measurements were made in the vicinity of cavities which were located in an adverse pressure gradient to study the associated flow in an effort to identify any benefits. The experimental data from the present investigation indicate a minimal impact on the boundary layer profiles is caused by the presence of cavities in either a constant pressure freestream or an adverse pressure gradient. The data from the experimental investigation has been obtained and analyzed. The computational investigation using an incompressible Navier-Stokes code show that reasonable results are being obtained when they are compared with the experimental data.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 34th Aerospace Sciences Meeting and Exhibit; Jan 15, 1996 - Jan 18, 1996; Reno, NV; United States
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  • 39
    Publication Date: 2019-07-18
    Description: Large eddy simulation is used to investigate the development of anisotropies and the evolution towards a quasi two-dimensional state in rotating homogeneous turbulence at high Reynolds number. The present study demonstrates the existence of two transitions in the development of anisotropy. The first transition marks the onset of anisotropy and occurs when a macro-Rossby number (based on a longitudinal integral lengthscale) has decreased to near unity while the second transition occurs when a micro-Rossby number (defined in this work as the ratio of the rms fluctuating vorticity to background vorticity) has decreased to unity. The anisotropy marked by the first transition corresponds to a reduction in dimensionality while the second transition corresponds to a polarization of the flow, i.e., relative dominance of the velocity components in the plane normal to the rotation axis. Polarization is reflected by emergence of anisotropy measures based on the two-dimensional component of the turbulence. Investigation of the vorticity structure shows that the second transition is also characterized by an increasing tendency for alignment between the fluctuating vorticity vector and the background angular velocity vector with a preference for corrotative vorticity.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 40
    Publication Date: 2019-07-18
    Description: Heat transfer rates specific to nucleate pool boiling under various conditions are determined by the dynamics of vapour bubbles that are originated and grow at nucleation sites of a superheated surface. A new dynamic theory of these bubbles has been recently developed on the basis of the thermodynamics of irreversible processes. In contrast to other existing models based on empirically postulated equations for bubble growth and motion, this theory does not contain unwarrantable assumptions, and both the equations are rigorously derived within the framework of a unified approach. The conclusions of the theory are drastically different from those of the conventional models. The bubbles are shown to detach themselves under combined action of buoyancy and a surface tension force that is proven to add to buoyancy in bubble detachment, but not the other way round as is commonly presumed. The theory ensures a sound understanding of a number of so far unexplained phenomena, such as effect caused by gravity level and surface tension on the bubble growth rate and dependence of the bubble characteristics at detachment on the liquid thermophysical parameters and relevant temperature differences. The theoretical predictions are shown to be in a satisfactory qualitative and quantitative agreement with observations. When being applied to heat transfer at nucleate pool boiling, this bubble dynamic theory offers an opportunity to considerably improve the main formulae that are generally used to correlate experimental findings and to design boiling heat removal in various industrial applications. Moreover, the theory makes possible to pose and study a great deal of new problems of essential impact in practice. Two such problems are considered in detail. One problem concerns the development of a principally novel physical model for the first crisis of boiling. This model allows for evaluating critical boiling heat fluxes under various conditions, and in particular at different gravity levels, with a good agreement with experimental evidence. The other problem bears upon equilibrium shapes of a detached bubble near a heated surface in exceedingly low gravity. In low gravity or in weightlessness, the bubble can remain in the close vicinity of the surface for a long time, and its shape is greatly affected by the Marangoni effect due to both temperature and possible surfactant concentration being nonuniform along the interface. The bubble performs at these conditions like a heat pipe, with evaporation at the bubble lower boundary and condensation at its upper boundary, and ultimately ensures a substantial increase in heat removal as compared with that in normal gravity. Some other problems relevant to nucleate pool and forced convection boiling heat transfer are also discussed.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 2nd European Thermal-Sciences Conference; May 29, 1996 - May 31, 1996; Rome; Italy|14th UIT National Heat Transfer Conference; May 29, 1996 - May 31, 1996; Rome; Italy
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  • 41
    Publication Date: 2019-07-18
    Description: The discipline of computational fluid dynamics (CFD) is at a crossroad. Most of the significant advances related to computational methods have taken place. The emphasis is now shifting from methods to results. Significant efforts are made in applying CFD to solve design problems. The value of CFD results in design depends on the credibility of computed results for the intended use. The process of establishing credibility requires a standard so that there is a consistency and uniformity in this process and in the interpretation of its outcome. The key element for establishing the credibility is the quantification of uncertainty. This paper presents salient features of a proposed standard and a procedure for determining the uncertainty. A customer of CFD products - computer codes and computed results - expects the following: A computer code in terms of its logic, numerics, and fluid dynamics and the results generated by this code are in compliance with specified requirements. This expectation is fulfilling by verification and validation of these requirements. The verification process assesses whether the problem is solved correctly and the validation process determines whether the right problem is solved. Standards for these processes are recommended. There is always some uncertainty, even if one uses validated models and verified computed results. The value of this uncertainty is important in the design process. This value is obtained by conducting a sensitivity-uncertainty analysis. Sensitivity analysis is generally defined as the procedure for determining the sensitivities of output parameters to input parameters. This analysis is a necessary step in the uncertainty analysis, and the results of this analysis highlight which computed quantities and integrated quantities in computations need to be determined accurately and which quantities do not require such attention. Uncertainty analysis is generally defined as the analysis of the effect of the uncertainties involved in all stages of a process on the final responses. There are two approaches for conducting the uncertainty analysis: experimental and computational. These analyses and approaches are briefly described.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 26th AIAA Fluid Dynamics Conference; Jun 19, 1995 - Jun 22, 1995; San Diego, CA; United States
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  • 42
    Publication Date: 2019-07-18
    Description: The autoaromatization of (Z)-hex-3-ene-1,5-diyne to the singlet biradical para-benzyne has been reinvestigated by state of the art ab initio methods. Previous CCSD(T)/6-31G(d,p) and CASPT2[0]/ANO[C(5s4p2d1f)/H(3s2p)] calculations estimated the the reaction heat at 298 K to be 8-10 and 4.9 plus or minus 3.2 kcal/mol, respectively. Recent NO- and oxygen-dependent trapping experiments and collision-induced dissociation threshold energy experiments estimate the heat of reaction to be 8.5 plus or minus 1.0 at 470 K (recomputed to 9.5 plus or minus 1.0 at 298 K) and 8.4 plus or minus 3.0 kcal/mol at 298 K, respectively. New theoretical estimates at 298 K predict the values at the basis set limit for the CCSD(T) and CASPT2(g1) methods to be 12.7 plus or minus 2.0 and 5.4 plus or minus 2.0 kcal/mol, respectively. The experimentally predicted electronic contribution to the heat of activation is 28.6 kcal/mol. This can be compared with 25.5 and 29.8 kcal/mol from the CASPT2[g1] and the CCSD(T) methods, respectively. The new study has in particular improved on the one-particle basis set for the CCSD(T) method as compared to earlier studies. For the CASPT2 investigation the better suited CASPT2[g1] approximation is utilized. The original CASPT2 method, CASPT2[0], systematically favors open shell systems relative to closed shell systems. This was previously corrected empirically. The study shows that the energy difference between CCSD(T) and CASPT2[g1] at the basis set limit is estimated to be 7 plus or minus 2 kcal/mol. The study also demonstrates that the estimated heat of reaction is very sensitive to the quality of the basis set.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 43
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    Publication Date: 2019-07-18
    Description: Heat exchange to the oscillating flows in regenerative coolers generates entropy. These flows are characterized by oscillating mass flows and oscillating temperatures. Heat is transferred between the flow and heat exchangers and regenerators. In the former case, there is a steady temperature difference between the flow and the heat exchangers. In the latter case, there is no mean temperature difference. In this paper a mathematical model of the entropy generated is developed for both cases. Estimates of the entropy generated by this process are given for oscillating flows in heat exchangers and in regenerators. The practical significance of this entropy is also discussed.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Cryogenic Engineering Conference; Jul 17, 1995 - Jul 21, 1995; Columbus, OH; United States
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  • 44
    Publication Date: 2019-07-18
    Description: In this paper we present the results of a series of numerical experiments done on the propagation and initiation of a detonation wave. The calculations are performed in one-dimension, with considerable grid resolution. Of particular interest are the following questions: (1) the nature of periodic and chaotic instabilities generated by the wave; (2) the influence of the grid resolution on these instabilities; (3) the influence of the 'quality' of the numerical scheme; and (4) the influence of 'noise'. In the calculations, we use a second-order Total Variation Diminishing (TVD) scheme as the basic numerical method, with grid spacings as low as a fraction of a micron. Detonations waves are generated at the closed end of a tube, and allowed to propagate for approximately 20 cm. The required energy for successful initiation of the detonation will be measured for different cases of grid resolution and numerical schemes. A modified version of the TVD scheme has also been devised, which allows for much lower numerical diffusion of the radical species in the exponentially growing region behind the shock. The effect of this modification will be demonstrated. Oscillations in peak pressure and induction length are seen to develop in some cases: the oscillations can go through a sequence of modes, from a regular, high frequency mode to a low frequency mode with period doubling. A chaotic regime can also be obtained. General conclusions on the quality of algorithms will be presented. We will also discuss the performance of a version of the code developed on the IBM SP2 parallel computer.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 31st Joint Propulsion Conference; Jul 10, 1995 - Jul 12, 1995; San Diego, CA; United States
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  • 45
    Publication Date: 2019-07-18
    Description: A model of the dynamic regime of gas injection through a submerged plate orifice into an ideally wetting liquid is developed in the circumstance when successively detached bubbles may be regarded as independent objects. Two major factors favor bubble detachment: the buoyancy force and a force due to the momentum inflow into the bubble with injected gas. In normal and moderately reduced gravity, the first factor dominates. At relatively low flow rates, a growing bubble is modeled as a spherical segment touching the orifice perimeter during the whole period of its evolution till detachment. If the flow rate exceeds a critical value, another stage of bubble evolution occurs in which an almost spherical gas envelope is connected with the orifice by a nearly cylindrical gaseous stem that lengthens as the bubble rises above the plate. The bubble continues to grow until the gas supply through the stem is completely cut off, after which back flow of gas into the stem from the bubble becomes possible. In microgravity, the second factor prevails, and the latter stage is always present irrespective of the flow rate. However, the gas envelope rises and the stem lengthens very slowly. This difference in the underlying physical mechanisms provides for key properties of bubble growth and detachment being drastically different in appreciable and sufficiently reduced gravity. The frequency of bubble formation slightly decreases with and the detachment volume is almost proportional to the gas flow rate in the first case, in accordance with familiar relations. In the second case, the first variable is proportional to the flow rate whereas the second one is independent of it. Effects of other parameters, such as the orifice radius, gas and liquid densities, and surface tension are discussed.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Fluid Engineering Conference; Aug 13, 1995 - Aug 18, 1995; Hilton Head, SC; United States
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  • 46
    Publication Date: 2019-07-18
    Description: Computational fluid dynamics has been developed to a level where it has become an Indispensable part of aerospace research and design. Technology developed foe aerospace applications am also be utilized for the benefit of human health. For example, a flange-to-flange rocket engine fuel-pump simulation includes the rotating and non-rotating components: the flow straighteners, the impeller, and diffusers A Ventricular Assist Device developed by NASA Johnson Space Center and Baylor College of Medicine has a design similar to a rocket engine fuel pump in that it also consists of a flow straightener, an impeller, and a diffuser. Accurate and detailed knowledge of the flowfield obtained by incompressible flow calculations can be greatly beneficial to designers in their effort to reduce the cost and improve the reliability of these devices. In addition to the geometric complexities, a variety of flow phenomena are encountered in biofluids Then include turbulent boundary layer separation, wakes, transition, tip vortex resolution, three-dimensional effects, and Reynolds number effects. In order to increase the role of Computational Fluid Dynamics (CFD) in the design process the CFD analysis tools must be evaluated and validated so that designers gain Confidence in their use. The incompressible flow solver, INS3D, has been applied to flow inside of a liquid rocket engine turbopump components and extensively validated. This paper details how the computational flow simulation capability developed for liquid rocket engine pump component analysis has bean applied to the Left Ventricular Assist Device being developed jointly by NASA JSC and Baylor College of Medicine.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Sixth International Symposium on Computational Fluid Dynamics; Sep 04, 1995 - Sep 08, 1995; Lake Tahoe, NV; United States
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  • 47
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    Publication Date: 2019-07-18
    Description: Physical phenomena of fluid flows are often analyzed in computational fluid dynamics. With the progress in computer systems, complex 3D time-varying flow simulations are becoming feasible. There are many existing techniques for visualizing fluid flows; however, most of them do not consider the time-dependent nature of the flow. Hence, they may not provide adequate insights to the flow phenomena. New techniques for visualizing time-varying fluid flows are presented.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Fourth SIAM Conference on Geometric Design; Nov 06, 1995 - Nov 09, 1995; Nashville, TN; United States
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  • 48
    Publication Date: 2019-07-18
    Description: The 16-Inch Shock Tunnel at NASA Ames Research Center is a unique test facility used for hypersonic propulsion testing. To provide information necessary to understand the hypersonic testing of the combustor model, computational simulations of the facility nozzle were performed and results are compared with available experimental data, namely static pressure along the nozzle walls and pitot pressure at the exit of the nozzle section. Both quasi-one-dimensional and axisymmetric approaches were used to study the numerous modeling issues involved. The facility nozzle flow was examined for three hypersonic test conditions, and the computational results are presented in detail. The effects of variations in reservoir conditions, boundary layer growth, and parameters of numerical modeling are explored.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 49
    Publication Date: 2019-07-18
    Description: This paper is largely based on the paper titled "Guide to Credible Computational Fluid Dynamics Simulations (Invited)" (AIAA Paper 95-2225). The significance of computational fluid dynamics (CFD) simulations depends solely on their credibility. A customer of CFD products -- simulations and software -- expects that these products are credible for the intended use. Simulation model verification and validation are critical in establishing the credibility of simulations and in certifying simulation software. The only thing that matters in establishing the credibility is uncertainty, not veracity or validity. The sensitivity-uncertainty analysis is the key to the establishment of this credibility. Assessing the credibility of complex simulation results poses a significant challenge. Terminology, concepts, framework, and guidelines are presented for addressing this challenge. Verification assesses whether the problem is solved correctly and estimates the level of computational accuracy of simulations; validation determines whether the right problem is solved and assesses the level of validity of the simulation model by estimating the degree to which simulations accurately represent reality. These concepts and the related guidelines are discussed with examples from high-speed flow fields.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: US-Europe Conference on High-Speed Flow Field Database Workshop; Nov 06, 1995 - Nov 09, 1995; Houston, TX; United States
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  • 50
    Publication Date: 2019-07-18
    Description: Three direct numerical simulations of time-evolving turbulent plane wakes developing in the presence of various irrotational plane strains have been generated. A pseudospectral numerical method with up to 26 million modes is used to solve the equations in a reference frame moving with the irrotational strain. The initial condition for each simulation is taken from a previous turbulent self-similar plane wake direct numerical simulation at a velocity deficit Reynolds number, Re, of about 2000. Three different plane strains (of the same magnitude) are imposed. In the first two simulations the strain is in a plane normal to the streamwise wake direction (the two cases having strain of opposite sign); in the third the wake is compressed in the streamwise direction and stretched in the inhomogeneous cross-stream direction. The two flows that are stretched in the cross-stream direction experience an exponential increase of Re; flow visualization indicates many small-scale vortices with little or no organized large-scale structure. In the flow that is compressed in the cross-stream direction Re decays exponentially and the layer appears to be relaminarizing. The evolution of several turbulence statistics in each of these flows is examined.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Forth-Eighth Annual Meeting of the American Physical Society; Nov 19, 1995 - Nov 21, 1995; United States
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  • 51
    Publication Date: 2019-07-18
    Description: Numerical simulations of complex 3D time-dependent (unsteady) flows are becoming increasingly feasible because of the progress in computing systems. Unfortunately, many existing flow visualization systems were developed for time-independent (steady) solutions and do not adequately depict solutions from unsteady flow simulations. Furthermore, most systems only handle one time step of the solutions individually and do not consider the time-dependent nature of the solutions. For example, instantaneous streamlines are computed by tracking the particles using one time step of the solution. However, for streaklines and timelines, particles need to be tracked through all time steps. Streaklines can reveal quite different information about the flow than those revealed by instantaneous streamlines. Comparisons of instantaneous streamlines with dynamic streaklines are shown. For a complex 3D flow simulation, it is common to generate a grid system with several millions of grid points and to have tens of thousands of time steps. The disk requirement for storing the flow data can easily be tens of gigabytes. Visualizing solutions of this magnitude is a challenging problem with today's computer hardware technology. Even interactive visualization of one time step of the flow data can be a problem for some existing flow visualization systems because of the size of the grid. Current approaches for visualizing complex 3D time-dependent CFD solutions are described. The flow visualization system developed at NASA Ames Research Center to compute time-dependent particle traces from unsteady CFD solutions is described. The system computes particle traces (streaklines) by integrating through the time steps. This system has been used by several NASA scientists to visualize their CFD time-dependent solutions. The flow visualization capabilities of this system are described, and visualization results are shown.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Sixth International Symposium on Computational Fluid Dynamics; Sep 04, 1995 - Sep 08, 1995; Lake Tahoe, NV; United States
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  • 52
    Publication Date: 2019-07-18
    Description: Previous investigations have shown that a compressible reacting mixing layer can develop two peaks in the mean density weighted vorticity profile. Linear stability analyses show that at these peaks two distinct 'outer' instability modes appear in addition to the more common central mode, which exists unaccompanied in incompressible nonreacting flows. The present study parametrically analyzes the effects of compressibility, heat release, stoichiometry, and density ratio on the amplification rate and obliquity of each stability mode. The mean profiles used in the spatial stability calculation are generated by self-similar solutions of the compressible boundary layer equations combined with the assumption of infinitely fast chemistry. It is shown that the influence of stoichiometry and density ratio on the peaks of the density weighted vorticity profile determines which modes will dominate. Of particular interest are the conditions where two modes are equally amplified, causing the mixing layer to develop into a 'colayer' structure.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: DFD95 Meeting of the American Physical Society; Nov 19, 1995 - Nov 21, 1995; Irvine, CA; United States
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  • 53
    Publication Date: 2019-07-18
    Description: We have developed a data parallel multizone compressible Navier-Stokes code on the Connection Machine CM-5. The code is set up for implicit time-stepping on single or multiple structured grids. For multiple grids and geometrically complex problems, we follow the "chimera" approach, where flow data on one zone is interpolated onto another in the region of overlap. We will describe our design philosophy and give some timing results for the current code. The design choices can be summarized as: 1. finite differences on structured grids; 2. implicit time-stepping with either distributed solves or data motion and local solves; 3. sequential stepping through multiple zones with interzone data transfer via a distributed data structure. We have implemented these ideas on the CM-5 using CMF (Connection Machine Fortran), a data parallel language which combines elements of Fortran 90 and certain extensions, and which bears a strong similarity to High Performance Fortran (HPF). One interesting feature is the issue of turbulence modeling, where the architecture of a parallel machine makes the use of an algebraic turbulence model awkward, whereas models based on transport equations are more natural. We will present some performance figures for the code on the CM-5, and consider the issues involved in transitioning the code to HPF for portability to other parallel platforms.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Computational Aerosciences Conference; Mar 07, 1995 - Mar 09, 1995; Moffett Field, CA; United States
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  • 54
    Publication Date: 2019-07-18
    Description: A three-dimensional finite-volume algorithm based on arbitrary basis functions for time-dependent problems on general unstructured grids is developed. The method is applied to the time-domain Maxwell equations. Discrete unknowns are volume integrals or cell averages of the electric and magnetic field variables. Spatial terms are converted to surface integrals using the Gauss curl theorem. Polynomial basis functions are introduced in constructing local representations of the fields and evaluating the volume and surface integrals. Electric and magnetic fields are approximated by linear combinations of these basis functions. Unlike other unstructured formulations used in Computational Fluid Dynamics, the new formulation actually does not reconstruct the field variables at each time step. Instead, the spatial terms are calculated in terms of unknowns by precomputing weights at the beginning of the computation as functions of cell geometry and basis functions to retain efficiency. Since no assumption is made for cell geometry, this new formulation is suitable for arbitrarily defined grids, either smooth or unsmooth. However, to facilitate the volume and surface integrations, arbitrary polyhedral cells with polygonal faces are used in constructing grids. Both centered and upwind schemes are formulated. It is shown that conventional schemes (second order in Cartesian grids) are equivalent to the new schemes using first degree polynomials as the basis functions and the midpoint quadrature for the integrations. In the new formulation, higher orders of accuracy are achieved by using higher degree polynomial basis functions. Furthermore, all the surface and volume integrations are carried out exactly. Several model electromagnetic scattering problems are calculated and compared with analytical solutions. Examples are given for cases based on 0th to 3rd degree polynomial basis functions. In all calculations, a centered scheme is applied in the interior, while an upwind matching scheme is employed at material interfaces and the Engquist-Majda non-reflecting boundary condition is implemented at the numerical outer boundaries. The staggered leapfrog scheme and the Runge-Kutta methods are utilized for the time integration. Excellent agreements are found between the numerical and analytical solutions.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 1995 IEEE/URSI Meeting; Jun 18, 1995 - Jun 23, 1995; Newport Beach, CA; United States
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  • 55
    Publication Date: 2019-07-18
    Description: The previously developed dynamic theory of growth and detachment of vapour bubbles under conditions of nucleate pool boiling is applied to study motion and deformation of a bubble evolving at a single nucleation site. The bubble growth is presumed to be thermally controlled, and two components of heat transfer to the bubble are accounted of: the one from the bulk of surrounding liquid and the one due to heat conduction across a liquid microlayer formed underneath the bubble. Bubble evolution is governed by the buoyancy and an effective surface tension force, both the forces making the bubble centre of mass move away from the wall and, thus, assisting its detachment. Buoyancy-controlled and surface-tension-controlled regimes are considered separately in a meticulous way. The duration of the whole process of bubble evolution till detachment, the rate of growth, and the bubble departure size are found as functions of time and physical and operating parameters. Some repeatedly observed phenomena, such as an influence of gravity on the growth rate, are explained. Inferences of the model agree qualitatively with available experimental evidence, and conclusions pertaining to the dependence on gravity of the bubble radius at detachment and the whole time of the bubble development when being attached to the wall are confirmed quantitatively.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 56
    Publication Date: 2019-07-18
    Description: We consider the behaviour of a vapour bubble formed at a nucleation site on a heated horizontal wall. There is no forced convection of an ambient liquid, and the bubble is presumably separated from the wall by a thin liquid microlayer. The energy conservation law results in a variational equation for the mechanical energy of the whole system consisting of the bubble and liquid. It leads to a set of two strongly nonlinear equations which govern bubble expansion and motion of its centre of mass. A supplementary equation to find out the vapour temperature follows from consideration of heat transfer to the bubble, both from the bulk of surrounding liquid and through the microlayer. The average thickness of the microlayer is shown to increase monotonously with time as the bubble meniscus spreads along the wall. Bubble expansion is driven by the pressure head between vapour inside and liquid far away from the bubble, with due allowance for surface tension and gravity effects. It is resisted by inertia of liquid being placed into motion as the bubble grows. The inertia originates also a force that presses the bubble to the wall. This force is counteracted by the buoyancy and an effective surface tension force that tends to transform the bubble into a sphere. The analysis brings about quite a new formulation of the familiar problem of bubble growth and detachment under conditions of nucleate pool boiling.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 57
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    Publication Date: 2019-08-16
    Description: New exact solutions of the Navier-Stokes equations are obtained for the unbounded and bounded oscillatory and impulsive tangential edgewise motion of touching half-infinite plates in their own plane. In contrast to Stokes classical solutions for the harmonic and impulsive motion of an infinite plane wall, where the solutions are separable or have a simple similarity form, the present solutions have a two-dimensional structure in the near region of the contact between the half-infinite plates. Nevertheless, it is possible to obtain relatively simple closed-form solutions for the flow field in each case by defining new variables which greatly simplify the r- and theta- dependence of the solutions in the vicinity of the contact region. These solutions for flow in a half-infinite space are then extended to bounded flows in a channel using an image superposition technique. The impulsive motion has application to the motion near geophysical faults, whereas the oscillatory motion has arisen in the design of a novel oscillating half-plate flow chamber for examining the effect of fluid shear stress on cultured cell monolayers.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Journal of fluid mechanics (ISSN 0022-1120); 287; 59-74
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  • 58
    Publication Date: 2019-07-10
    Description: The effect of far-field boundary conditions on the evolution of a finite-amplitude two-dimensional wave in the Blasius boundary layer is assessed. With the use of the parabolized stability equations (PSE) theory for the numerical computations, either asymptotic, Dirichlet, Neumann or mixed boundary conditions are imposed at various distances from the wall. The results indicate that asymptotic and mixed boundary conditions yield the most accurate mean-flow distortion and unsteady instability modes in comparison with the results obtained with either Dirichlet or Neumann conditions.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 59
    Publication Date: 2019-08-13
    Description: Laminar fuel-air counterflow diffusion flames (CFDFs) were studied using axisymmetric convergent-nozzle and straight-tube opposed jet burners (OJBs). The subject diagnostics were used to probe a systematic set of H2/N2-air CFDFs over wide ranges of fuel input (22 to 100% Ha), and input axial strain rate (130 to 1700 Us) just upstream of the airside edge, for both plug-flow and parabolic input velocity profiles. Laser Doppler Velocimetry (LDV) was applied along the centerline of seeded air flows from a convergent nozzle OJB (7.2 mm i.d.), and Particle Imaging Velocimetry (PIV) was applied on the entire airside of both nozzle and tube OJBs (7 and 5 mm i.d.) to characterize global velocity structure. Data are compared to numerical results from a one-dimensional (1-D) CFDF code based on a stream function solution for a potential flow input boundary condition. Axial strain rate inputs at the airside edge of nozzle-OJB flows, using LDV and PIV, were consistent with 1-D impingement theory, and supported earlier diagnostic studies. The LDV results also characterized a heat-release hump. Radial strain rates in the flame substantially exceeded 1-D numerical predictions. Whereas the 1-D model closely predicted the max I min axial velocity ratio in the hot layer, it overpredicted its thickness. The results also support previously measured effects of plug-flow and parabolic input strain rates on CFDF extinction limits. Finally, the submillimeter-scale LDV and PIV diagnostics were tested under severe conditions, which reinforced their use with subcentimeter OJB tools to assess effects of aerodynamic strain, and fueVair composition, on laminar CFDF properties, including extinction.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 95-3112 , AIAA 31st Joint Propulsion Conference; Jul 10, 1995 - Jul 12, 1995; San Diego, CA; United States
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  • 60
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    Publication Date: 2019-08-13
    Description: This talk summarizes three applications of the overset grid method for CFD using some level of automated grid generation, flow solution and post-processing. These applications are 2D high-lift airfoil analysis (INS2D code), turbomachinery applications (ROTOR2/3 codes), and subsonic transport wing/body configurations (OVERFLOW code). These examples provide a forum for discussing the advantages and disadvantages of overset gridding for use in an automated CFD process. The goals and benefits of the automation incorporated in each application will be described, as well as the shortcomings of the approaches.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: NASA Workshop on Surface Modeling, Grid Generation, and Related Issues in CFD Solutions; May 09, 1995 - May 12, 1995; Cleveland, OH; United States
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  • 61
    Publication Date: 2019-07-10
    Description: A numerical study was performed to investigate the accuracy and validity of cold-gas simulation of actual hot scramjet exhaust within a Mach 10 free stream over a representative single-stage-to-orbit airbreathing configuration. In particular, exhausts of various noncombusting chemistry models were studied to characterize their effects on the vehicle aftbody performance and the plume flow field definition. Two approximations of the hot scramjet combustion products were utilized to determine the requirement for expensive, multi-species numerical modeling, and to establish a baseline for the validation of cold-gas simulation. Cold-gas simulation at Mach 10 is shown to be a viable technique using an appropriate thermally perfect gas mixture for reproducing hot scramjet exhaust effects.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 95-6068
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  • 62
    Publication Date: 2019-07-10
    Description: The objective of this work is to reshape a nacelle to achieve a specified nacelle pressure distribution. The nacelle may be either isolated or installed on an airplane. There are no restrictions on the attitude (toe, incidence, and roll) and position of the nacelle. The design algorithm is coupled to two different multi-block 3-D Navier Stokes flow solvers. The coupling between design and analysis is automated to the point where the design proceeds with minimal user input.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 95-1820
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  • 63
    Publication Date: 2019-08-13
    Description: The Advisory Group for Aerospace Research and Development (AGARD) has requested my participation in the lecture series entitled Parallel Computing in Computational Fluid Dynamics to be held at the von Karman Institute in Brussels, Belgium on May 15-19, 1995. In addition, a request has been made from the US Coordinator for AGARD at the Pentagon for NASA Ames to hold a repetition of the lecture series on October 16-20, 1995. I have been asked to be a local coordinator for the Ames event. All AGARD lecture series events have attendance limited to NATO allied countries. A brief of the lecture series is provided in the attached enclosure. Specifically, I have been asked to give two lectures of approximately 75 minutes each on the subject of parallel solution techniques for the fluid flow equations on unstructured meshes. The title of my lectures is "Parallel CFD Algorithms for Aerodynamical Flow Solvers on Unstructured Meshes" (Parts I-II). The contents of these lectures will be largely review in nature and will draw upon previously published work in this area. Topics of my lectures will include: (1) Mesh partitioning algorithms. Recursive techniques based on coordinate bisection, Cuthill-McKee level structures, and spectral bisection. (2) Newton's method for large scale CFD problems. Size and complexity estimates for Newton's method, modifications for insuring global convergence. (3) Techniques for constructing the Jacobian matrix. Analytic and numerical techniques for Jacobian matrix-vector products, constructing the transposed matrix, extensions to optimization and homotopy theories. (4) Iterative solution algorithms. Practical experience with GIVIRES and BICG-STAB matrix solvers. (5) Parallel matrix preconditioning. Incomplete Lower-Upper (ILU) factorization, domain-decomposed ILU, approximate Schur complement strategies.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Parallel Computing in Computational Fluid Dynamics; May 15, 1995 - May 19, 1995; Brussels; Belgium|Parallel Computing in Computational Fluid Dynamics; Oct 16, 1995 - Oct 20, 1995; Moffett Field, CA; United States
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  • 64
    Publication Date: 2019-07-13
    Description: An efficient numerical approach for the design of optimal aerodynamic shapes is presented in this paper. The objective of any optimization problem is to find the optimum of a cost function subject to a certain state equation (governing equation of the flow field) and certain side constraints. As in classical optimal control methods, the present approach introduces a costate variable (Lagrange multiplier) to evaluate the gradient of the cost function. High efficiency in reaching the optimum solution is achieved by using a multigrid technique and updating the shape in a hierarchical manner such that smooth (low-frequency) changes are done separately from high-frequency changes. Thus, the design variables are changed on a grid where their changes produce nonsmooth (high-frequency) perturbations that can be damped efficiently by the multigrid. The cost of solving the optimization problem is approximately two to three times the cost of the equivalent analysis problem.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 95-0478 , 33rd Aerospace Sciences Meeting and Exhibit; Jan 09, 1995 - Jan 12, 1995; Reno, NV; United States
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  • 65
    Publication Date: 2019-07-10
    Description: The level of nitric oxide contamination in the test gas of the NASA Langley Research Center Arc-Heated Scramjet Test Facility and the effect of the contamination on scramjet test engine performance were investigated analytically. The study was conducted for standard facility conditions corresponding to Mach 6, 7, and 8 flight simulations. The analytically determined levels of nitric oxide produced in the facility are compared with experimentally measured levels. Results of the analysis indicate that nitric oxide levels range from one to three mole percent, which corroborates the measured levels. A three-stream combustor code with finite rate chemistry was used to investigate how nitric oxide affects scramjet performance in terms of combustor pressure rise, heat release, and thrust performance. Results indicate minimal effects on engine performance for the test conditions of this investigation.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 95-2524
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  • 66
    Publication Date: 2019-07-10
    Description: Direct numerical simulation was used to study the formation and growth of a hairpin vortex in a flat-plate boundary layer and its later development into a young turbulent spot. Fluid injection through a slit in the wall triggered the initial vortex. The legs of the vortex were stretched into a hairpin shape as it traveled downstream. Multiple hairpin vortex heads developed between the stretched legs. New vortices formed beneath the streamwise-elongated vortex legs. The continued development of additional vortices resulted in the formation of a traveling region of highly disturbed ow with an arrowhead shape similar to that of a turbulent spot.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 67
    Publication Date: 2019-07-10
    Description: The multiblock three-dimensional Navier-Stokes method PAB3D was utilized by the Component Integration Branch (formerly Propulsion Aerodynamics Branch) at the NASA-Langley Research Center in an international study sponsored by AGARD Working Group #17 for the assessment of the state-of-the-art of propulsion-airframe integration testing techniques and CFD prediction technologies. Three test geometries from ONERA involving fundamental flow physics and four geometries from NASA-LaRC involving realistic flow interactions of wing, body, tail, and jet plumes were chosen by the Working Group. An overview of results on four (1 ONERA and 3 LaRC) of the seven test cases is presented. External static pressures, integrated pressure drag and total drag were calculated for the Langley test cases and jet plume velocity profiles and turbulent viscous stresses were calculated for the ONERA test case. Only selected data from these calculations are presented in this paper. The complete data sets calculated by the participants will be presented in an AGARD summary report. Predicted surface static pressures compared favorably with experimental data for the Langley geometries. Predicted afterbody drag compared well with experiment. Predicted nozzle drag was typically low due to over-compression of the flow near the trailing edge. Total drag was typically high. Predicted jet plume quantities on the ONERA case compared generally well with data.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 95-2622
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  • 68
    Publication Date: 2019-07-12
    Description: The fluid management system comprises a mixing/recirculation system including an external recirculation pump for receiving fluid from a zero gravity storage system and returning an output flow of the fluid to the storage system. An internal axial spray injection system is provided for receiving a portion of the output flow from the recirculation pump. The spray injection system thermally de-stratifies liquid and gaseous cryogenic fluid stored in the storage system.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 69
    Publication Date: 2019-07-13
    Description: The Numerical Aerodynamic Simulation (NAS) Systems Division at NASA Ames Research Center has begun the development of a Computational Fluid Dynamics (CFD) data set archive on the World Wide Web (WWW) at URL http://www.nas.nasa.gov/NAS/DataSets/. Data sets are integrated with related information such as research papers, metadata, visualizations, etc. In this paper, four classes of users are identified and discussed: students, visualization developers, CFD practitioners, and management. Bandwidth and security issues are briefly reviewed and the status of the archive as of May 1995 is examined. Routine network distribution of data sets is likely to have profound implications for the conduct of science. The exact nature of these changes is subject to speculation, but the ability for anyone to examine the data, in addition to the investigator's analysis, may well play an important role in the future.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 6th International Symposium; Sep 01, 1995; Tahoe, CA; United States
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  • 70
    Publication Date: 2019-08-15
    Description: Detailed measurements of aerodynamic heating rates in the wake of a Mars-Pathfinder configuration model have been made. Heating data were obtained in a conventional wind tunnel, the NASA LaRC 31" Mach 10 Air Tunnel, and in a high-enthalpy impulse facility, the NASA HYPULSE expansion tube, in which air and CO2 were employed as test gases. The enthalpy levels were 0.7 MJ/kg in the Mach 10 Tunnel, 12 MJ/kg at Mach 9.8 for HYPULSE CO2 tests and 14 MJ/kg at Mach 7.9 for HYPULSE air tests. Wake heating rates were also measured on three similar parametric configurations, and forebody heating measurements were made in order to facilitate CFD comparisons. The ratio of peak wake heating to forebody stagnation point heating in the Mach 10 Tunnel varied from 7% to 15% depending on the freestream Reynolds number. In HYPULSE, the ratio was ~5% for both air and CO 2. It was observed that an increase in the ratio of forebody corner radius to nose radius resulted in a decrease in peak wake heating, and moved the peak closer to the base of the forebody. The wake flow establishment process in HYPULSE was studied, and a method was developed to determine when the wake has become fully established.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 95-2314 , 26th AIAA Fluid Dynamics Conference; Jun 19, 1995 - Jun 22, 1995; San Diego, CA; United States
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  • 71
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 128 (1995) 
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 72
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    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 29-34 
    ISSN: 0009-2940
    Keywords: Tripodal ligands ; Triamidostannates ; Metal-metal bonds ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: By in situ lithiation of the trifunctional amines H3CC(CH2NHSiMe3)3, PhC(CH2NHSiMe3)3, and HC{SiMe2NH(p-Tolyl)}3 and subsequent reaction with SnCl2 the corresponding triamidostannates were obtained. These were coupled with CpM(CO)2Cl (M = Fe, Ru) to yield the M - Sn-bonded heterobimetallics 9-14 of which H3CC(CH2NSiMe3)3SnFe(CO)2Cp (9) was characterized by a single-crystal X-ray structure analysis. Of the in situ-generated amidostannates only [HC{SiMe2N(p-Tolyl)}3Sn][Li(THF)3] (8) could be isolated as a uniform product and characterized analytically and spectroscopically.
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  • 73
    ISSN: 0009-2940
    Keywords: Selenium-nitrogen compounds ; Sulfur-nitrogen compounds ; Calculations, ab initio ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The structures of cationic species of the series [X2Y—N—YX2]+ (X = F, Cl; Y = S, Se) have been computed ab initio using all electron treatments for first-row elements and sulfur and quasi-relativistic pseudopotentials for Se and Cl. Splitvalence basis sets with polarization and diffuse functions were employed. The MP2 results for the (non-isostructural!) cations [Cl2Se—N—SeCl2]+ (1: Cs) and [F2S—N—SF2]+ (2: C2v) are in excellent agreement with the experimental (X-ray) observations. Both structures represent local minima. A deeper minimum for either of the cations is represented by another C2v isomer which for crystal lattice energy reasons is stable in the isolated state only. The geometries of the hitherto unknown species [Cl2S—N—SCl2]+ (3) and [F2Se—N—SeF2]+ (4) have been assessed by ab initio HF calculations. In analogy to 2, cations 3 and 4 are predicted to prefer C2v symmetry. Therefore, 1 exhibits unusual structural features. According to strictly localized natural bond orbital analysis (NBO), the central nitrogen atoms in 1 and 2 possess two lone pairs of electrons (LP: one sp hybrid and one p orbital). The relatively short Se—N and S—N bond distances in 1 (1.741-1.760 Å) and 2 (1.551 Å) can best be attributed to LP(N)→s̰*(Y—X) negative hyperconjugation (1: Y = Se, X = Cl; 2: Y = S, X = F).
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  • 74
    ISSN: 0009-2940
    Keywords: Ruthenium(II) complexes, octahedral ; Phosphino esters as mono- and bidentate ligands ; Fluxional behaviour ; Carbene complexes ; Vinylidene complexes ; Allenylidene complexes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Vinylidene Transition-Metal Complexes, XXXV[1].  -  The Supporting Role of Phosphino Ester Ligands for the Synthesis of Neutral Carbene, Vinylidene and Allenylidene Ruthenium(II) ComplexesThe reaction of [RuCl2(PPh3)3] (1) with the phosphino esters iPr2P(CH2)nCO2R (2-4) leads to complete (n = 1; R = CH3, C2H5) or partial (n = 2; R =CH3) displacement of the PPh3 ligands and formation of the octahedral ruthenium(II) complexes [RuCl2{k2(P,O)-iPr2PCH2CO2R}2] (5, 6) and [RuCl2(PPh3){k(P)-iPr2PCH2CH2CO2Me}{k2(P,O)-iPr2PCH2CH2CO2Me}] (7). Treatment of 5 with LiBr and LiI affords the dibromo- and diiodoruthenium derivatives 8 and 9. While compound 5 reacts with CO and SO2 by cleavage of one Ru - O bond to yield the 1:1 adducts [RuCl2(L){k(P)-iPr2PCH2CO2Me}{k2(P,O)-iPr2PCH2CO2Me}] (10, 11), the reaction of the dibromo derivative 8 with CO in solution gives the dicarbonyl complex [RuBr2(CO)2{k(P)-iPr2PCH2CO2Me}2](13). If CO is passed over 8 in the solid state, the corresponding monocarbonyl compound 14 is formed. The hydridoruthenium(II) complex 16, which is obtained from equimolar amounts of [RuHCl(CO)(PiPr3)2] (15) and 2, reacts with HC≡CMe by insertion to give the vinyl derivative [RuCl{E - CH=CHMe}(CO)(PiPr3){k2(P,O)-iPr2CH2CO2Me}] (17). Treatment of 5 with HC̊' (R' = H, Me, tBu, Ph) and of 6, 8, 9 with HC≡CPh affords upon photochemical activation the octahedral vinylidene complexes [RuX2-(=C=CHR){k(P)-iPr2PCH2CO2R}{k2(P,O)-iPr2PCH2CO2R}] (18-21 and 23-25) in good to excellent yield. At room temperature, these compounds (with the exception of 25) are highly fluxional in solution. From 31P-NMR measurements, the free energies of activation ΔG
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  • 75
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    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 81-85 
    ISSN: 0009-2940
    Keywords: Aluminium-aluminium bond ; Insertion of trimethylsilyl azide ; Trimeric dialkylaluminium azide ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Reactions of R2Al—AlR2 (R = CH(SiMe3)2) with Trimethylsilyl Azide  -  Insertion into the Al—Al Bond and Formation of a Trimeric Dialkylaluminium AzideTetrakis[bis(trimethylsilyl)methyl]dialuminium(4) (1) reacts with trimethylsilyl azide under insertion of one nitrogen atom into the Al—Al bond. As shown by NMR spectra and crystal structure the product contains three and four coordinated Al atoms due to the coordination of the α-nitrogen atom of the azide group to one of the Al atoms. An electronically delocalized N3-system is formed with a N—N bond length of 132.0 pm and a bond order of 1.5 for both N—N bonds. With an excess of trimethylsilyl azide further reaction is observed only under mild irradiation conditions with an exchange of the azide group between Si and Al and formation of Me6Si2 and the dialkylaluminium azide 3, which is better synthesized by the reaction of Me3Si—N3 with Cl—Al[CH(SiMe3)2]2. The sterically highly shielded aluminium azide 3 is a trimer in the solid state showing a non-planar 12-membered Al3N9 heterocycle with short N—N bonds (114 pm).
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  • 76
    ISSN: 0009-2940
    Keywords: Poly(azolyl)borates, metal complexes of ; Bis(tetrazolyl)borate, metal complexes of ; Metal-nitrogen coordination ; Coordination polymers ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Dihydrobis(tetrazolyl)borate metal compounds of the composition [M(L)2{μ-H2B(CHN4)2}2]n for M = Mn, Fe, Co, Zn, Cd with L = H2O and for M = Cu with L = NH3 are obtained from metal salts and K[H2B(CHN4)2]. Single-crystal X-ray studies reveal the formation of two-dimensional rhombic grid sheets through the bridging action of the bis(tetrazolyl)borate ligands. Each metal atom is octahedrally coordinated with two trans L ligands and four H2B(CHN4)-2 nitrogen donors. Two additional, hydrogen-bonded water molecules occupy the rhombic openings in the compounds with M = Mn, Fe, Co, Zn, and Cd. The water of crystallization is held in place through hydrogen bonding from the water ligands and to the nitrogen atoms to give a substructure of parallel kinked water chains. Temperature-variable magnetic measurements show a Curie-Weiss behavior for the paramagnetic complexes with M = Mn, Fe, Co, and Cu.
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  • 77
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    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 365-371 
    ISSN: 0009-2940
    Keywords: Cumulenes ; Butadienes ; Vinylcyclopropane ; Vinylidenecyclopropane ; Bicyclopropyl, phosphanyl-substituted ; Cyclopropanation ; Phosphane ligands ; Phosphane chalcogenides ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Hydrophosphorylation of 1,4-bis(diphenylphosphanyl)butadiyne with diphenylphosphane leads to the butadiene (Ph2P)2C=CH—CH=C(PPh2)2 (1). Treatment of 1 with dimethylsulfonium methylide gives the vinylcyclopropane (Ph2P)2C=CH—CH(CH2)C(PPh2)2 (2). Compound 2 reacts with aqueous hydrogen peroxide, elemental sulfur, or selenium to afford the tetrachalcogenides (Ph2XP)2C=CH—CH(CH2)C(PXPh2)2 with X = O (3), X = S (4), X = Se (5), respectively. While the tetraphosphane 1 and the vinyl-cyclopropane compound 2 cannot be converted into a bis-(cyclopropyl) compound with an excess of Me2S=CH2, the tetrasulfide 4 readily affords a mixture of (1R,1′R)-/(1S,1′S)-and meso-2,2,2′,2′-tetrakis(diphenylthiophosphinyl)-1,1′-bicyclopropyl (6, 7) in good yield. Treatment of 1,1,4,4-tetrakis-(diphenylphosphanyl)butatriene with dimethylsulfonium methylide leads to the vinylidenecyclopropane (Ph2P)2C=C=C(CH2)C(PPh2)2 (8). Compound 8 is converted into its tetrasulfide (Ph2SP)2C=C=C(CH2)C(PSPh2)2 (9) by treatment with elemental sulfur. The crystal structures of 1, 2, 4, 7, and 8 have been determined by single-crystal X-ray diffraction.
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  • 78
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    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 413-416 
    ISSN: 0009-2940
    Keywords: Ferriophosphanes ; Ferriophosphoranes ; Thioxophosphane ligand ; Decarbonylation reaction ; Sulfurization ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Mono- and Diferriophosphanes and -thioxophosphoranesHerrn Professor Dr. Ekkehard Lindner zum 60. Geburtstag gewidmet.The substitution of organic substituents in phosphanes or thioxophosphoranes by the 17-electron fragments CpFe-(CO)2 (—Fp) leads to isolobal ferriophosphanes or -thioxophosphoranes. The mono- and diferriophosphanes FpnPPh3-n [n = 1 (3), 2 (4)] are obtained by deprotonation of the mono- and diferriophosphonium salts [FpnPPh3-nH]X [n = 1 (1), 2 (2)] with DBU. They are oxidized by sulfur giving the mono- and diferriothioxophosphoranes FpnPPh3-n(S) [n = 1 (5), 2 (6)]. Sulfide 5 arises also from the reaction of CpFe(CO)2Cl and Ph2PH(S)/DBU. The one-sided decarbonylation reaction of 6 leads to FpFp′PPh(S) (7, Fp′ = CpFeCO). The Fp substituents (17 electrons) in 3-7 coordinate as one-electron donors to the PhnP- or PhnP(S) units (n = 1, 2). The bridging functions in 4 and 6 are hitherto unknown. The molecular structures of the complexes 5-7 were determined by X-ray structure analyses.
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  • 79
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    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 435-436 
    ISSN: 0009-2940
    Keywords: Trifluoromethylthio group ; Carbenium ions ; Diphenylmethane ; Dyes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Tris(trifluoromethylthio)carbenium hexafluoroarsenate (1) reacts with N,N-dimethylaniline and anisole to form the corresponding diphenylmethanes 2, 3 with the SCF3 group at the methine carbon atom. During the reaction of 1 with benzene, compounds such as C6H5C(SCF3)3 and C6H5SCF3 are formed along with benzophenone, a product of hydrolysis of the diphenylmethane compound.
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  • 80
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    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 441-442 
    ISSN: 0009-2940
    Keywords: Diphosphane disulfides ; Metallophosphoranes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The first transition metal derivative meso-[(η5-C5Me5)(CO)2FeP(H)(S)]2 (2) of the unknown diphosphane disulfide [PH2(S)]2 results from treatment of (η5-C5Me5)(CO)2FePH2 (1) with 1.5 equivalents of elemental sulfur. Compound 2 was characterized by means of spectroscopy (IR, 31P, 31P{1H}, 13C{1H}, 1H NMR) as well as X-ray diffraction analysis.
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  • 81
    ISSN: 0009-2940
    Keywords: Strontium bis(tetrahydridoborate)-2 tetrahydrofuran, chain polymer of ; Strontium bis(tetrahydridoborate)-bis(diglyme) ; Barium bis(tetrahydridoborate)-bis(diglyme) ; Strontium bis(tetrahydridoborate)-1,4,7,13,16-hexaoxacyclooctadecane ; Metal-hydrogen-boron bridges ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The strontium and barium tetrahydridoborate complexes M(BH4)2 · 2 diglyme and M(BH4)2 · 18-crown-6 (M = Sr, Ba) have been prepared from the solvates M(BH4)2 · 2 THF by ligand displacement. 11B-NMR and IR data reveal strongly polar bonding of the BH4 groups to the metal centers, and X-ray structural analyses of the diglyme and crown ether compounds show molecular units in which the BH4 group is in contact via three H atoms with the metal center. In contrast, M(BH4)2 · 2 THF compounds are chain polymers in the solid state, and each metal center is surrounded by 2 THF molecules in trans position and four BH4- groups each of which forms bridges with two metal centers. Estimations of the effective radius for the BH4 group indicate a high polarity for the M-BH4 interaction.
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  • 82
    ISSN: 0009-2940
    Keywords: Manganese ; Cycloheptadienyl ; Alkyne ; [5+2],homo[5+2] Cycloadditions ; Tricyclo[5.3.1.04,10]undeca-2,5-dien-11-yl ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Photochemical Reactions of Transition Metal Organyl Complexes with Olefins, 1312. Mitteilung: Lit. . - Photochemically Induced [5+2], homo[5+2] Cycloaddition of 3-Hexyne to Tricarbonyl(η 5-2,4-cycloheptadien-1-yl)manganeseTricarbonyl(η5-2,4-cycloheptadien-1-yl)manganese (1) reacts upon UV irradiation in hexane at 243 K with two equivalents of 3-hexyne (2) in successive [5+2],homo[5+2] cycloadditions to give tricarbonyl(η2:2:1-1,2,3,11-tetraethyltricyclo-[5.3.1.04,10]undeca-2,5-dien-11-yl)manganese (3). Its crystal and molecular structure was determined by an X-ray diffraction analysis, in solution it was studied also by IR and NMR spectroscopy.
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  • 83
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    Berichte der deutschen chemischen Gesellschaft 128 (1995) 
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 84
    ISSN: 0009-2940
    Keywords: Anellated azaphospholes ; Hantzsch-type [3 + 2] cyclocondensation ; Chloromethyldichlorophosphane ; Regioselectivity ; 31P-, 1H-, 13C-NMR spectra ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The [3 + 2] cyclocondensation of 2-amino-1,3-thiazoline, 2-aminopyridines, 2- and 4-aminopyrimidines, 2-aminopyrazine, and 2-aminoquinoline with chloromethyldichlorophosphane in the presence of triethylamine yields regiospecifically 5,6-dihydrothiazolo[2,3-e][1,4,2]diazaphosphole (3), 1,4,2-diazaphospholo[4,5-α]pyridines (12), 1,4,2-diazaphospholo[4,5-α]pyrimidines (15), 1,4,2-diazaphospholo[4,5-e]pyrimidine (17), 1,4,2-diazaphospholo[4,5-α]pyrazine (19), and [1,4,2]diazaphospholo[4,5-α]quinoline (22), respectively. Using 2-amino-1,3-thiazole (4) and 2-aminobenzothiazoles 8, we obtained mixtures of the 1,5- and 4,5-anellated 1,4,2-diazaphospholes 5/6, 9a/10a and 9b/10b, while in the case of the methyl derivative 8c only the [1,4,2]diazaphospholo[5,4-b][1,3]benzothiazole 10c was formed. In the reaction of 2-aminothiazole and 2-aminopyrazine with Chloromethyldichlorophosphane the bis(diazaphospholo)-substituted chloromethylphosphanes 7 and 20 could be detected. The new anellated 1,4,2-diazaphospholes are colorless to pale yellow crystalline moisture-sensitive solids.
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  • 85
    ISSN: 0009-2940
    Keywords: Reductive silylation ; Aminochlorophosphanes ; Silylphosphanes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reaction of alkyl(diorganylamino)chlorophosphanes R(R2′N)PCl 1 (1a: R = tBu, R′ = Et, 1b: R = iPr, R′ = iPr; 1c: R = iPr, R′ = Ph) with hexachlorodisilane, afforded alkyl(diorganylamino)trichlorosilylphosphanes R(R2′N)PSiCl3 2 (2a: R = tBu, R′ = Et; 2b: R = iPr, R′ = iPr; 2c: R = iPr, R′ = Ph) and silicon tetrachloride. An intermediate formed in the reaction of 1b with hexachlorodisilane, the adduct iPr(iPr2N)(Cl)P-Si(Cl)3-SiCl3 (3b = 1b · Si2Cl6), was detected by 31P- and 29Si-NMR spectra that indicate pentacoordinated silicon bound to tetracoordinated phosphorus and tetracoordinated silicon. Trichlorosilylphosphanes 2 are also available from 1 under very mild conditions by reductive trichlorosilylation with trichlorosilane in the presence of triethylamine. Compounds 2 were identified analytically, by mass spectroscopy, multinuclear NMR, and an X-ray structure determination of 2c.
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  • 86
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    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 641-643 
    ISSN: 0009-2940
    Keywords: Carbene ligands ; Tungsten complexes ; 2,2′-Bifuran ; Copper coupling reaction ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 2-oxacyclic α,β-unsaturated carbene complex 1 reacts with an excess of dimethylamine to give the diphenylbifuran 2. The structure of 2 was established by independent synthesis from 2-phenylfuran (4) via regioselective lithiation and transmetalation to zinc and tin organometallics 6a-c and final oxidative copper coupling reactions.
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  • 87
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    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 679-687 
    ISSN: 0009-2940
    Keywords: Stannole, diethylboryl-substituted ; Trimethyltin alkoxides ; 2-, 3-Stannolenes, organometallic-substituted ; NMR, coupling constants, 2J(Sn,Sn), sign determination ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Trimethyltin alkoxides (2) react stereoselectively with 3-diethylboryl-4-ethyl-1,1-dimethylstannole (1) via addition of the Me3Sn group to C(2) to the C(2) = C(3) bond and a 1,2 shift of an ethyl group from boron to C(3) to give the 2-stannolenes 3. The molecular structure of 3f' [R = (S)-2-Bu] was determined by single-crystal X-ray analysis, confirming the cis positions of the Et(RO)B and the Me3Sn group. These 2-stannolenes 3 undergo, upon heating to ca. 80°C, facile rearrangement by irreversible allylic migration of the Et(RO)B group to the 3-stannolenes 4 in which the cis positions of the boryl and the stannyl group are retained. All 2-stannolenes (in contrast to the 3-stannolenes) are readily deprotoborylated to give the 3-stannolene 5. The structures of 3, 4, and 5 follow conclusively from 1H-, 11B-, 13C-, and 119Sn-NMR spectra. The negative sign of the geminal coupling constants 2J(SnSn) was determined in the case of 3, 4, and 5 by 2D 119Sn/1H heteronuclear shift correlations.
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  • 88
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    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 751-762 
    ISSN: 0009-2940
    Keywords: Trifluoroacyloxy-9-borabicyclo[3.3.1]nonane ; Pivaloyloxy-9-borabicyclo[3.3.1]nonane dimer ; Bis(9-borabicyclo[3.3.1]nonyl]oxalate ; Tetrakis(9-borabicyclo[3.3.1]nonyl)-dihydroxyoxalate ; Bis(9-borabicyclo[3.3.1]nonyl)-2,2-dimethylmalonate tetramer ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 9-Borabicyclo[3.3.1]nonane (9-BBNH) reacts with monocarboxylic acids to afford 9-(acyloxy)-9-borabicyclo[3.3.1]nonanes which are dimers in the solid state as shown by X-ray crystal structures of the benzoate and pivalate. More complex reactions were observed by allowing 9-BBNH to react with dicarboxylic acids in THF or monoglyme. Thus, (9-BBN)2 oxalate 3 contains a fully delocalized oxalate unit with equal C-O and B-O bond lengths. Traces of water convert it into the tetrakis(9-BBN) oxalate 5. A rather unusual structure is veryfied by 9-BBN 2,2-dimethylmalonate 7 which according to its molecular structure is a tetramer featuring a 32-membered ring system. In contrast, reactions of oxalic acid with thexylborane leads to reduction of the acid and formation of a bicyclic dioxaborolo-dioxaborolane 10. Several intermediates were detected by 11B-NMR spectroscopy as well as in reactions of BH3 · THF or BH3 · SMe2 with oxalic acid.  -  It follows from the present study that (acyloxy)boranes derived from dicarboxylic acids are strong Lewis acids with an unexpected variety of structural features.
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  • 89
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    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 741-742 
    ISSN: 0009-2940
    Keywords: Selenenyl halides ; Nucleophilic substitution ; Complex intermediate ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The T-shaped selenenyl halide (1), which may be regarded as a model substance for the transition state in nucleophilic displacement at divalent chalcogen atoms, has been isolated and subjected to X-ray structure determination.
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  • 90
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    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 779-785 
    ISSN: 0009-2940
    Keywords: Zinc complexes ; Drug ligands ; Captopril ; Isoniazid ; Nalidixic acid ; Mercaptopurine ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Four drugs whose actions have a relation to the status of zinccontaining species in the human body were used as ligands in zinc complexes. Captopril (H2Cap) forms the compound [ZnCap] (1) presumed to be a coordination polymer with O and S coordination. Isoniazid, in the presence of zinc salts, is converted to 1,2-diisonicotinoyl hydrazide (H2Nih) which forms polymeric [Zn(Nih)NH3] (2) with trigonal-bipyramidal ZnO2N3 coordination. Nalidixic acid (HNal) and zinc perchlorate yield [Zn(HNal)2(H2O)2](ClO4)2 · 2 H2O (3) containing zinc in an octahedral ZnO6 environment. Mercaptopurine (H2Mer), in the presence of ammonia, forms [Zn(Mer)(NH3)2] . H2O (4) which is a coordination polymer containing tetrahedral ZnN4 units. The structures of [Zn(Nih)NH3], [Zn(HNal)2(H2O)2](ClO4)2 . 2 H2O, and [Zn(Mer)(NH3)2] . 2 H2O were determined diffractometrically.
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  • 91
    ISSN: 0009-2940
    Keywords: Phosphate-phosphonate rearrangement ; Carbanions, benzylic, configurational stability of ; Phosphonaes Lithium amides, homochiral ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Benzyl dialkyl phosphates are deprotonated enantioselectively by homochiral lithium amides of isopropyl(1-phenylethyl)amine or bis(1-phenylethyl)amine. The short-lived benzylic carbanions formed are virtually configurationally stable relative to the rearrangement to optically active phenyl-hydroxymethylphosphonates. The enantiomeric excesses are up to 50%. The pro-(S) hydrogen is removed by amides having (S) configuration. Homochiral diethyl (S)-phenyl[D1]-methyl phosphate [(S)-16c] is deprotonated by both LDA and n-BuLi with a high primary kinetic isotope effect (kH/D ≍ 50) and isomerizes to the corresponding α-hydroxy phosphonate with an enantiomeric excess of up to 85%.
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  • 92
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 845-850 
    ISSN: 0009-2940
    Keywords: Phenanthroline synthesis ; Tris(phenanthroline)iron(II) complexes ; Redox potential ; Cyclic voltammetry ; Electron transfer, outer-sphere ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The new 4,7-donor-substituted phenanthrolines 2a-h were synthesized and the corresponding tris(1,10-phenanthroline)iron(II) complexes 3a-h studied by cyclic voltammetry. In more detail three novel aza-crown ether-linked (phenanthroline)iron complexes were investigated, the redox potentials of which could be fine-tuned by the addition of group-Ia,IIa metal cations. All iron(II) complexes showed reversible waves at scan rates between 50 and 500 mV · s-1 and could be reversibly oxidized and reduced by chemical means.
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  • 93
    ISSN: 0009-2940
    Keywords: Bis(cyclopentadienyl)methane ; Heterobimetallic complexes ; Imido complexes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mononuclear rhodium complexes [(C5H5CH2C5H4)-Rh(CO)2] (1) and [(C5H5CH2C5H4)Rh(PhC≡CPh)(PiPr3)] (2) readily react with nBuLi or TlOEt to yield the corresponding lithium salts 3 and 4 or thallium salts 5 and 6. The reaction of these salts with [(C5H5)Nb(NtBu)Cl2] (7) leads to the formation of the heterodinuclear compounds [{CH2(C5H4)2}-{Rh(CO)2}{(C5H5)Nb(NtBu)Cl}] (8) and [{CH2(C5H4)2}-{Rh(PhC≡CPh)(PiPr3)}{(C5H5)Nb(NtBu)Cl}] (9), respectively. Treatment of 3-6 with [Mo(NtBu)2Cl2] (10) gives the heterodinuclear Rh/Mo complexes [{CH2(C5H4)2}{Rh(CO)2}-{Mo(NtBu)2Cl}] (11) and [{CH2(C5H4)2}{Rh(PhC≡CPh)-(PiPr3)}{Mo(NtBu)2Cl}] (12). The analogous reaction of [Mo(NMes)2Cl2(DME)] (13) with 3-6 yields the corresponding complexes [{CH2(C5H4)2}{Rh(CO)2}{Mo(NMes)2Cl}] (14) and [{CH2(C5H4)2}{Rh(PhC≡CPh)(PiPr3)}{Mo(NMes)2Cl}] (15). From the monometallated ligand [(C5H5CH2C5H4)M] (M = Li: 16; M = Tl: 17) and the imidometal compounds 7, 10 and 13, the mononuclear complexes [(C5H5CH2C5H4)(C5H5)Nb-(NtBu)Cl] (18) and [(C5H5CH2C5H4)Mo(NR)2Cl] (R = tBu: 19; R = Mes: 20) have been obtained.
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  • 94
    ISSN: 0009-2940
    Keywords: Fullerene ; Hydrofulleride ; Manganese complex ; Rhenium complex ; Iron complexes ; Ruthenium complex ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Addition of Hydrofulleride [C60H]- to Coordinated, Unsaturated Hydrocarbons: Binding of Fullerene to Metal Complexes through Hydrocarbon BridgesHerrn Professor Herbert Walter Roesky zum 60. Geburtstag gewidmet.Hydrofulleride [C60H]- is added to the hydrocarbon ligands of the cationic complexes [(OC)5Re(η2-C2H4)]+, [(OC)3Mn-(η6-C6H6)]+, [(OC)3M(η5-C6H7)]+ (M = Fe, Ru), [(OC)3Fe(η5-C7H9)]+, and [(η5-C5H5)Fe(η6-C5H4CH2)]+.
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  • 95
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 1083-1088 
    ISSN: 0009-2940
    Keywords: Silenes ; Silene dimerization ; 1,2-Disilacyclobutanes ; 1,3-Disilacyclobutanes ; 2,3-Disilanaphthalene, tetrahydro- ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Mesityl[tris(trimethylsilyl)silyl]methanol (1) reacts with strong bases with elimination of trimethylsilanolate according to a Peterson-type mechanism, the outcome of the reaction being dependent on solvent, temperature, and nature of the organometallic base applied. Thus, 1 was converted by treatment with MeLi in ether at -78°C to (E)-1,2,3,8a-tetra -hydro-1-mesityl-5,7,8a-trimethyl-2,2,3,3-tetrakis (trimethylsi-lyl)-2,3-disilanaphthalene (3), formally a [2 + 4] cyclodimer of the transient silene (Me3Si)2Si=CHMes (2). The reaction of 1 with PhMgBr in THF after some days resulted in the formation of (Z)-3,4-dimesityl-1,1,2,2-tetrakis(trimethylsilyl) -1,2-disilacyclobutane (6) as the main product besides small quantities of 3, the polysilane (Me3SiSi(SiMe3)2CH2Mes (10), and the alkoxysilane (Me3Si)3SiCH(Mes)OSi(Si-Me3)2CH2Mes (7). Compound 6, the formal [2 + 2] cycloadduct of 2, can also be obtained by thermal treatment of 3 and is considered to be the thermodynamically more stable silene dimer whereas 3 is the kinetically preferred product. At high LiBr concentrations in the reaction mixture 1 was converted by PhMgBr in THF to (E)-2,4-dimesityl-1,1,3,3-tetrakis(tri- methylsilyl)-1,3-disilacyclobutane (13) besides 6 and [bis(tri-methylsilyl)silyl]mesityl(trimethylsiloxy)methane (11). The unforeseen formation of 13 is discussed as proceeding via the silene-lithium bromide adduct (Me3Si)2Si(Br)CH(Li)Mes (12). In the absence of LiBr 1 was converted by MeLi in THF at -78°C to 11 and the trisilane (Me3Si)2Si(Me)CH2Mes (4b). Probable pathways of the formation of all new compounds are discussed. For 6 and 13 the results of the X-ray structural analyses are given.
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  • 96
    ISSN: 0009-2940
    Keywords: 1,7-Dimethylocta-2,6-diene-1,8-diyl ; Ruthenium complexes ; α-Amino carboxylates ; α-Amino acid esters ; Peptide esters ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Metal Complexes Containing Biologically Important Ligands, LXXXLXXIX. Mitteilung: Lit. .  -  (η3:η3-C10H16)Ru(IV) Complexes with α-Amino Carboxylates, α-Amino Acid Esters, and Peptide Esters as LigandsReactions of the chloro-bridged bis(allyl) complex [(η3:η3-C10H16)Ru(Cl)(μ-Cl)]2 with α-amino carboxylates and α-amino acid esters afford the complexes (η3:η3-C10H16)(Cl)RuNH2CHRCO2 (2) and (η3:η3-C10H16)(Cl)2-RuNH2CHRCO2R′ (3). Abstraction of chloride from 3 by Ag+ gives the N,O-chelates [(η3:η3-C10H16)(Cl)RuNH2CHRCO2R′]+BF4 (4). Cysteine methyl ester forms the N,S-chelate complex (η3:η3-C10H16)(Cl)RuNH2CH(CO2CH3)CH2S (5), and with histidine methyl ester a dinuclear complex 6 with N,N-histidine bridge is obtained. Compound 3d with L-PheOEt as ligand was characterized by X-ray diffraction.
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  • 97
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 1135-1136 
    ISSN: 0009-2940
    Keywords: Hemilabile ligands ; Cyclopentadienyl ligands, functionalised ; Iron compounds ; Halfsandwich complex ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Reaction of iron(II) chloride with one equivalent of [MeO-(CH2CH2O)3(CH2)3C5Me4]Li in THF yields the title halfsand-wich complex 1, which is stable in solution up to room temperature. Compound 1 reacts with C5H5Li and CO to give [MeO(CH2CH2O)3(CH2)3C5Me4]Fe(C5H5) (2) and [MeO-(CH2CH2O)3(CH2)3C5Me4]Fe(CO)2CI (3), respectively, in high yields.
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  • 98
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 1145-1148 
    ISSN: 0009-2940
    Keywords: P2, As2, P2S2, and P2Se2 ligands ; Iron complexes ; Triangulated dodecahedra ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The thermolysis of [CpFe(CO)2]2 (1) and P4 or As4 affords the iron clusters [Cp4Fe4(E2)2], E = As (2a), P (2b), the Fe4E4 skeleton of which consists of a triangulated dodecahedron. S8 and gray Se oxidize the P2 ligands of 2b with formation of [Cp4Fe4(P2X2)2], X = S (3a), Se (3b), complexes with the hitherto unknown P2X2 ligands, 2a, b and 3a, b have been characterized by X-ray crystallography.
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  • 99
    ISSN: 0009-2940
    Keywords: Synthesis, stereoselective ; Catalysis ; Tetrahydrofurans ; Dialkylzinc reagents ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 1,4-Diol derivatives 4a-i were synthesized stereoselectively by either reagent- or catalyst-controlled routes using the addition of functionalized diorganozinc reagents to aldehydes. The stereoselectivities along the reagent-controlled synthetic path were in the range between 80:20 and 95:5. The stereoselectivities along the catalyst route exceeded 95:5. The 1,4-diol derivatives 4 thus obtained were transformed into enantiomerically pure cis- and trans-2,5-disubstituted tetrahydrofurans (16-20) by means of an intramolecular Williamson reaction.
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  • 100
    ISSN: 0009-2940
    Keywords: Hydrazines ; N,N'-bis(diphenylboryl)-N,N'-dimethyl- ; N,N'-bis(diphenylboryl)-N',N'-dimethyl- ; N,N'-bis(dimethylphenylsilyl)- ; N,N'-bis(chloromesitylboryl)-N'-phenyl-N'-(trimethylsilyl)- ; 1,2,4,5,3,6-Tetrazadiborinane, 1,2,4,5-tetrakis(tert-butyldimethylsilyl)-3,6-difluoro- ; Triazadiborolidine, dihydro-, derivative ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The diboration of the diazene PhN = NSiMe3 (15) by diborane(4) derivatives provides a new synthetic route to N,N'-diborylated hydrazines. The product formed depends on the type of the diborane(4) compound. Thus, addition of dimesityldiboron dichloride to 15 in a 1:1 ratio afforded (mesCIB)PhN-N(SiMe3)(BClmes) (16) while bis(dimethyl-amino)diboron dichloride was found to react in a 1:2 ratio to give a triazadiborolidine derivative 17. In addition, it was demonstrated that in the solid state Me2N-N(BPh2)2 (8) is a derivative of a three-membered dihydroazadiboriridine C while its isomer, (Ph2B)MeN-NMe(BPh2) (7), forms no BN coordinative bond. The new 3,6-difluoro-1,2,4,5-tetraza-3,6-diborine 13 shows a twist conformation. The molecular structures of all these compounds were determined by X-ray crystal structure analysis, and the influence of the B substituent on the conformation is discussed.
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