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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Discovery of Complex Binding and Reaction Mechanisms from Ternary Gases in Rare Earth Metal–Organic Frameworks

Understanding the selectivity of metal–organic frameworks (MOFs) to complex acid gas streams will enable their use in industrial applications. In this study, ab initio molecular dynamic simulations (AIMD) were used to simulate ternary gas mixtures (H 2 O-NO 2 -SO 2 ) in rare earth 2,5-dihydroxyterephthalic acid (RE-DOBDC) MOFs. Stronger H 2 O gas-metal binding arose from thermal vibrations in the MOF sterically hindering access of SO 2 and NO 2 molecules to the metal sites. Gas-gas and gas-linker interactions within the MOF framework resulted in the formation of multiple secondary gas species including HONO, HNO 2 , NOSO, and HNO 3 ⁻. Four gas adsorption sites were identified along with a new de-protonation reaction mechanism not observable through experiment. This study not only provides valuable information on competitive gas binding energies in the MOF, but it also provides important chemical insights into transient chemical reactions and mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tandem pyrolysis evolved gas–gas chromatography–mass spectrometry

Analysis of byproducts from thermal degradation of polymer materials provides a wealth of information about a materials’ composition, thermal stability, degradation mechanisms, and kinetics. However, regardless of the instrumentation used, only limited information is obtainable from a single experiment. Microfurnace technology, when interfaced to a gas chromatography-mass spectrometry (GC-MS), can be used to obtain both thermal and chemical information via evolved gas analysis-MS (EGA-MS) and GC-MS analysis modes. While both EGA-MS and Py-GC-MS are valuable when characterizing polymer materials, at least two experiments on distinct samples are required, which can be a liability for clear interpretation of results from inhomogeneous samples. Here, we seek to overcome this limitation by combining EGA-MS and Py-GC-MS modes in a single experimental setup. Further, this was done by developing new gas line modifications to allow for tandem Pyrolysis Evolved Gas-Gas Chromatography-Mass Spectrometry (Py/EG-GC-MS) analysis. Verification of Py/EG-GC-MS analysis was performed using a polystyrene standard. Results demonstrate successful Py/EG-GC-MS analysis for the first-time showing the potential of these modifications for application in areas where sample is limited or direct correlation of products to the thermal profile is desirable such as in forensics or product-specific kinetics.

36 MATERIALS SCIENCE↗

Experimental study of elliptical jet from supercritical to subcritical conditions using planar laser induced fluorescence

The study of fluid jet dynamics at supercritical conditions involves strong coupling between fluid dynamic and thermodynamic phenomena. Beyond the critical point, the liquid-vapor coexistence ceases to exist, and the fluid exists as a single phase known as supercritical fluid with its properties that are entirely different from liquids and gases. At the critical point, the liquids do not possess surface tension and latent heat of evaporation. Around the critical point, the fluid undergoes large changes in density and possesses thermodynamic anomaly like enhancement in thermal conductivity and specific heat. In the present work, the transition of the supercritical and near-critical elliptical jet into subcritical as well as supercritical environment is investigated experimentally with nitrogen and helium as the surrounding environment. Under atmospheric condition, a liquid jet injected from the elliptical orifice exhibits axis switching phenomena. As the injection temperature increases, the axis switching length also increases. Beyond the critical temperature, the axis switching is not observed. The investigation also revealed that pressure plays a major role in determining the thermodynamic transition of the elliptical jet only for the case of supercritical jet injected into subcritical chamber conditions. At larger pressures, the supercritical jet undergoes disintegration and formation of droplets in the subcritical environment is observed. However, for supercritical jet injection into supercritical environment, the gas-gas like mixing behavior is observed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Computational study of pressure-driven methane transport in hierarchical nanostructured porous carbons

Using the reflecting particle method together with a perturbation-relaxation loop developed in our previous work, we studied pressure-driven methane transport in hierarchical nanostructured porous carbons (HNPCs) containing both mesopores and micropores in non-equilibrium molecular dynamics simulations. The surface morphology of the mesopore wall was systematically varied by tuning interaction strength between carbon atoms and the template in a mimetic nanocasting process. Effects of temperature and mesopore size on methane transport in HNPCs were also studied. Our study shows that increased mesopore wall surface roughness changes the character of the gas-wall interaction from specular to diffuse, while the gas-gas interaction is diminished due to the decrease of adsorption density. Effects of the mesopore wall surface morphology are the most significant at low temperatures and in small channels. Our systematic study provides a better understanding of the transport mechanisms of light gases through carbon nanotube composite membranes in experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Testing for Controlled Rapid Pressurization

Borehole W1 is a NQ core hole drilled at our test site in Socorro. The rock is rhyolite. Borehole W1 which was used to test gas-gas explosive mixtures is 55 feet deep with casing (pinkish in the drawing) set to 35 feet. The model is a representation of the borehole and the holes we cored around the central borehole after the test. The brown colored core holes showed dye when we filled W1 with water and slightly pressurized it. This indicates there was some path between W1 and the colored core hole. The core holes are shown to their TD in the drawing. The green plane is a fracture plane which we believe is the result of the explosions of the gas mixture in W1. Data resource is a 2D .pdf Solid Works Drawing of borehole W1.

15 GEOTHERMAL ENERGY↗

Study of liquid oxygen/liquid hydrogen auxiliary propulsion systems for the space tug

Design concepts are considered that permit use of a liquid-liquid (as opposed to gas-gas) oxygen/hydrogen thrust chamber for attitude control and auxiliary propulsion thrusters on the space tug. The best of the auxiliary propulsion system concepts are defined and their principal characteristics, including cost as well as operational capabilities, are established. Design requirements for each of the major components of the systems, including thrusters, are developed at the conceptual level. The competitive concepts considered use both dedicated (separate tanks) and integrated (propellant from main propulsion tanks) propellant supply. The integrated concept is selected as best for the space tug after comparative evaluation against both cryogenic and storable propellant dedicated systems. A preliminary design of the selected system is established and recommendations for supporting research and technology to further the concept are presented.

Nichols, J. F.↗

Payload/orbiter contamination control requirement study

The results of a contamination impact analysis upon the spacelab carrier and the spacelab carrier upon some of its potential payloads are presented. These results are based upon contamination computer modeling techniques developed to predict the induced environment for spacelab and to provide the basis for evaluation of the predicted environment against the current on orbit contamination control criteria as specified for payloads. Those spacelab carrier contamination sources evaluated against the stated contamination control criteria were outgassing/offgassing of the major nonmetallic thermal control coating of the spacelab carriers, spacelab core and experiment module and tunnel cabin atmosphere leakage, avionics bay vent, spacelab condensate vent, random particulate sloughing, and the return flux of the molecular content of these sources from the gas-gas interactions with the ambient orbital environment. It is indicated that the spacelab carrier can meet the intent of the contamination control criteria through incorporating known contamination control practices.

Bareiss, L. E.↗

Thermofluid analysis of the SSME preburner using a gas-gas diffusion model for oxygen and hydrogen combustion at supercritical pressures

The paper discusses the thermofluid analysis of the Space Shuttle Main Engine (SSME) fuelside preburner. The governing equations have been solved numerically to predict flow, heat transfer, mixing, and combustion. A two-fluid approach is adopted in which oxygen is regarded as one fluid and hydrogen is regarded as the other fluid. The chemical kinetics is assumed to be very fast so that combustion is primarily controlled by the rate of mixing between oxygen and hydrogen. The preburner pressure is much greater than the critical pressures of oxygen and hydrogen; hence, a gas-gas diffusion model (rather than an evaporation model) has been developed to compute the rate of interphase mixing. Empirical correlations have been incorporated to account for the effect of slip on the interphase exchange. A sensitivity study has been performed with various model parameters. It is observed that the model can predict possibility of incomplete combustion and local regions of high temperatures under steady operating conditions. Some of these anomalies have been observed in actual tests, and the numerical model is useful for understanding possible causes and remedies. At least some measurements are needed for quantitative verification of the model.

Prakash, C.↗

Radiation heat transfer shapefactors for combustion systems

The computation of radiation heat transfer through absorbing media is commonly done through the zoning method which relies upon values of the geometric mean transmittance and absorptance. The computation of these values is difficult and expensive, particularly if many spectral bands are used. This paper describes the extension of a scan line algorithm, based upon surface-surface radiation, to the computation of surface-gas and gas-gas radiation transmittances.

Emery, A. F.↗

Advanced H2/O2 space engine parametrics

Engine cycle analyses conducted on a 3000-lbf component testing model of an H2/O2-fueled advanced orbit-transfer vehicle engine employing a dual-expander cycle have yielded pressure and temperature trend predictions. On the basis of the results obtained, the dual-expander cycle is projected to be scalable to thrust levels of as much as 50,000 lbf, with chamber pressures of 2000 psi. The high chamber pressure, in conjunction with the use of a gas-gas injector element, facilitates 10:1-range continuously variable throttling. The preferred thrust level for supporting mission studies would be of the order of 20,000 lbf.

Schneider, J. A.↗

High/variable mixture ratio oxygen/hydrogen engines

A LOX/LH2 high/variable mixture ratio booster upper stage is described. The engine has high thrust-weight ratio as a booster and high specific impulse as an upper stage engine. Operation at high mixture ratio utilizes the propellants at high bulk density. The engine may use multiple turbopump-preburners for higher thrust ratings. The engine uses the full flow cycle to obtain minimum turbine inlet temperatures for a given chamber pressure and to avoid interpropellant shaft seals and other single point failure modes. A portion of the liquid hydrogen is used to regeneratively cool the thrust chamber assembly. The warmed hydrogen coolant is then used to drive the fuel boost turbopump. All propellants arrive at the gas-gas injector ready to burn. Shear mixing of the parallel flowing high velocity, low density fuel-rich gases with the high density, low velocity oxidizer-rich gases provides complete combustion with a modest chamber volume. Combustion stability is assured by the injection of the heated fuel-rich gases and the comparatively low volume ratio of the propellants before and after combustion. The high area ratio nozzle skirt is fitted with a low area ratio nozzle skirt insert for optimum low altitude performance. The overall engine characteristics make it a candidate for ALS, Shuttle-C, LRB, and SSTO applications.

Knuth, William H.↗

Particle kinetic simulation of high altitude hypervelocity flight

In this grant period, the focus has been on enhancement and application of the direct simulation Monte Carlo (DSMC) particle method for computing hypersonic flows of re-entry vehicles. Enhancement efforts dealt with modeling gas-gas interactions for thermal non-equilibrium relaxation processes and gas-surface interactions for prediction of vehicle surface temperatures. Both are important for application to problems of engineering interest. The code was employed in a parametric study to improve future applications, and in simulations of aeropass maneuvers in support of the Magellan mission. Detailed comparisons between continuum models for internal energy relaxation and DSMC models reveals that several discrepancies exist. These include definitions of relaxation parameters and the methodologies for implementing them in DSMC codes. These issues were clarified and all differences were rectified in a paper (Appendix A) submitted to Physics of Fluids A, featuring several key figures in the DSMC community as co-authors and B. Haas as first author. This material will be presented at the Fluid Dynamics meeting of the American Physical Society on November 21, 1993. The aerodynamics of space vehicles in highly rarefied flows are very sensitive to the vehicle surface temperatures. Rather than require prescribed temperature estimates for spacecraft as is typically done in DSMC methods, a new technique was developed which couples the dynamic surface heat transfer characteristics into the DSMC flow simulation code to compute surface temperatures directly. This model, when applied to thin planar bodies such as solar panels, was described in AIAA Paper No. 93-2765 (Appendix B) and was presented at the Thermophysics Conference in July 1993. The paper has been submitted to the Journal of Thermophysics and Heat Transfer. Application of the DSMC method to problems of practical interest requires a trade off between solution accuracy and computational expense and limitations. A parametric study was performed and reported in AIAA Paper No. 93-2806 (Appendix C) which assessed the accuracy penalties associated with simulations of varying grid resolution and flow domain size. The paper was also presented at the Thermophysics Conference and will be submitted to the journal shortly. Finally, the DSMC code was employed to assess the pitch, yaw, and roll aerodynamics of the Magellan spacecraft during entry into the Venus atmosphere at off-design attitudes. This work was in support of the Magellan aerobraking maneuver of May 25-Aug. 3, 1993. Furthermore, analysis of the roll characteristics of the configuration with canted solar panels was performed in support of the proposed 'Windmill' experiment. Results were reported in AIAA Paper No. 93-3676 (Appendix D) presented at the Atmospheric Flight Mechanics Conference in August 1993, and were submitted to Journal of Spacecraft and Rockets.

Haas, Brian L.↗

Multi-dimensional combustor flowfield analyses in gas-gas rocket engine

The objectives of the present research are to improve design capabilities for low thrust rocket engines through understanding of the detailed mixing and combustions processes. Of particular interest is a small gaseous hydrogen-oxygen thruster which is considered as a coordinated part of an on-going experimental program at NASA LeRC. Detailed computational modeling requires the application of the full three-dimensional Navier Stokes equations, coupled with species diffusion equations. The numerical procedure is performed on both time-marching and time-accurate algorithms and using an LU approximate factorization in time, flux split upwinding differencing in space. The emphasis in this paper is focused on using numerical analysis to understand detailed combustor flowfields, including the shear layer dynamics created between fuel film cooling and the core gas in the vicinity on the nearby combustor wall; the integrity and effectiveness of the coolant film; three-dimensional fuel jets injection/mixing/combustion characteristics; and their impacts on global engine performance.

Tsuei, Hsin-Hua↗

Non-intrusive measurements in a rocket engine combustor

In recent years analytical tools to characterize combustor flow have been developed in order to support design. To facilitate anchoring of combustion related physical models and the CFD codes in which they are incorporated, considerable development and application of non-intrusive combustion diagnostic capabilities has occurred. Raman spectroscopy can be used to simultaneously detect all polyatomic molecules present in significant concentrations and to determine gas temperature. This is because all molecules possess a distinct temperature dependent Raman spectrum. A multi-point diagnostic system for non-intrusive temperature and species profiling in rocket engines has been developed at Rocketdyne. In the present effort, the system has been undergoing validation for application to rocket engine component testing. A 4 inch diameter windowed combustor with a coaxial gas-gas injector was chosen for this series of validation experiments. Initially an excimer-pumped tunable dye laser and later a solid state Nd-Yag laser served as excitation sources. The Raman signal was dispersed by a monochromator and detected by a gated, intensified Charged Coupled Device (CCD) array. Experiments were carried out prior to each series of hot fire tests to ensure that the Raman signal detected was due to a spontaneous rather than a stimulated Raman emission process. Over sixty hot fire tests were conducted during the first series of tests with the excimer/dye laser. All hot fire testing was at a mixture ratio of 0.5 and chamber pressures of approximately 100 and approximately 300 psia. The Raman spectra of hydrogen, water vapor and oxygen recorded during single element hot fire tests were reduced and analyzed. A significant achievement was the attainment of single shot Raman spectra in cold flow tests. Unfortunately, the single shot signal-to-noise ratio deteriorated to an unacceptable level during the hot fire testing. Attempts to obtain temperature data from the hydrogen Q1-branch profiles obtained in hot fire tests suggest that potentially complicating factors may render the approach of averaging data on the photodiode array invalid. A second series of hot fire tests was conducted with a 4 element coaxial injector using the Nd-Yag laser. A very compact and portable diagnostics set up was assembled for ease of alignment, relocation and flexibility. Measurements were made at several regions in the chamber in order to map concentration profiles. High spatial resolution and improved signal to noise characteristics were demonstrated.

Farhangi, S.↗