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At least 235 records · Page 13

CFD Simulation of Liquid Rocket Engine Injectors

Detailed design issues associated with liquid rocket engine injectors and combustion chamber operation require CFD methodology which simulates highly three-dimensional, turbulent, vaporizing, and combusting flows. The primary utility of such simulations involves predicting multi-dimensional effects caused by specific injector configurations. SECA, Inc. and Engineering Sciences, Inc. have been developing appropriate computational methodology for NASA/MSFC for the past decade. CFD tools and computers have improved dramatically during this time period; however, the physical submodels used in these analyses must still remain relatively simple in order to produce useful results. Simulations of clustered coaxial and impinger injector elements for hydrogen and hydrocarbon fuels, which account for real fluid properties, is the immediate goal of this research. The spray combustion codes are based on the FDNS CFD code' and are structured to represent homogeneous and heterogeneous spray combustion. The homogeneous spray model treats the flow as a continuum of multi-phase, multicomponent fluids which move without thermal or velocity lags between the phases. Two heterogeneous models were developed: (1) a volume-of-fluid (VOF) model which represents the liquid core of coaxial or impinger jets and their atomization and vaporization, and (2) a Blob model which represents the injected streams as a cloud of droplets the size of the injector orifice which subsequently exhibit particle interaction, vaporization, and combustion. All of these spray models are computationally intensive, but this is unavoidable to accurately account for the complex physics and combustion which is to be predicted, Work is currently in progress to parallelize these codes to improve their computational efficiency. These spray combustion codes were used to simulate the three test cases which are the subject of the 2nd International Workshop on-Rocket Combustion Modeling. Such test cases are considered by these investigators to be very valuable for code validation because combustion kinetics, turbulence models and atomization models based on low pressure experiments of hydrogen air combustion do not adequately verify analytical or CFD submodels which are necessary to simulate rocket engine combustion. We wish to emphasize that the simulations which we prepared for this meeting are meant to test the accuracy of the approximations used in our general purpose spray combustion models, rather than represent a definitive analysis of each of the experiments which were conducted. Our goal is to accurately predict local temperatures and mixture ratios in rocket engines; hence predicting individual experiments is used only for code validation. To replace the conventional JANNAF standard axisymmetric finite-rate (TDK) computer code 2 for performance prediction with CFD cases, such codes must posses two features. Firstly, they must be as easy to use and of comparable run times for conventional performance predictions. Secondly, they must provide more detailed predictions of the flowfields near the injector face. Specifically, they must accurately predict the convective mixing of injected liquid propellants in terms of the injector element configurations.

Farmer, Richard↗

Evaluation of B&W UO2/ThO2 VIII experimental core: criticality and thermal disadvantage factor analysis

In the framework of the OECD/NEA International Reactor Physics Experiment (IRPHE) Project, an evaluation of core VIII of the Babcock & Wilcox (B&W) Spectral Shift Control Reactor (SSCR) critical experiment program was performed. The SSCR concept, moderated and cooled by a variable mixture of heavy and light water, envisaged changing of the thermal neutron spectrum during the operation to encourage breeding and to sustain the core criticality. Core VIII contained 2188 fuel rods with 93% enriched UO2-ThO2 fuel in a moderator mixture of heavy and light water. The criticality experiment and measurements of the thermal disadvantage factor were evaluated.

Criticality↗

Thermodynamics of dense molecular hydrogen-helium mixtures at high pressure

Effective intermolecular pair potentials derived from liquid hydrogen and helium shock wave experiments are presently used in Monte Carlo simulations of mixtures of hydrogen and helium, at densities of up to 1.2 g/cu cm. The model interaction Helmholtz free energy derived accurately reproduces both the Monte Carlo calculation results and the experimental data obtained for densities of up to about 0.6 g/cu cm. An equation of state is derived from the free energy expression that could be useful in interior models of such Jovian planets as Saturn.

Marley, Mark S.↗

Turning Normal to Abnormal: Reversing CO 2 /C2–Hydrocarbon Selectivity in HKUST–1

Metal–organic frameworks (MOFs) can efficiently purify hydrocarbons from CO 2 , but their rapid saturation, driven by preferential hydrocarbon adsorption, requires energy-intensive adsorption–desorption processes. To address these challenges, an innovative approach is developed, enabling control over MOF flexibility through densification and defect engineering, resulting in an intriguing inverse CO 2 /C2 hydrocarbon selectivity. Here, in this study, the densification process induces the shearing of the crystal lattice and contraction of pores in a defective CuBTC MOF. These changes have led to a remarkable transformation in selectivity, where the originally hydrocarbon-selective CuBTC MOF becomes CO 2 -selective. The selectivity values for densified CuBTC are significantly reversed when compared to its powder form, with notable improvements observed in CO 2 /C 2 H 6 (4416 vs 0.61), CO 2 /C 2 H 4 (15 vs 0.28), and CO 2 /C 2 H 2 (4 vs 0.2). The densified material shows impressive separation, regeneration, and recyclability during dynamic breakthrough experiments with complex quinary gas mixtures. Simulation studies indicate faster CO 2 passage through the tetragonal structure of densified CuBTC compared to C 2 H 2 . Experimental kinetic diffusion studies confirm accelerated CO 2 diffusion over hydrocarbons in the densified MOF, attributed to its small pore window and minimal interparticle voids. This research introduces a promising strategy for refining existing and future MOF materials, enhancing their separation performance.

36 MATERIALS SCIENCE↗

Importance of phospholipid bilayer integrity in the analysis of protein–lipid interactions

Highlights: • We show long-term mechanical stabilization of solid supported bilayers. • Bilayer integrity is essential for the investigation of protein–lipid interactions. • Protein adsorption to a bilayer containing defects causes membrane destruction. - Abstract: The integrity of supported phospholipid bilayer membranes is of crucial importance for the investigation of lipid–protein interactions. Therefore we recorded the formation of supported membranes on SiO{sub 2} and mica by quartz crystal microbalance and controlled the integrity by atomic force microscopy. This study aims to analyze how membrane defects affect protein–lipid interactions. The experiments focused on a lipid mixture of POPC/DOPC/Chol/POPS/PI(4,5)P{sub 2} (37:20:20:20:3) and the binding of the peripheral membrane associated protein annexin A2. We found that formation of a continuous undisturbed bilayer is an indispensable precondition for a reliable determination and quantification of lipid–protein-interactions. If membrane defects were present, protein adsorption causes membrane disruption and lipid detachment on a support thus leading to false determination of binding constants. Our results obtained for PI(4,5)P{sub 2} and cholesterol containing supported membranes yield new knowledge to construct functional surfaces that may cover nanoporous substrates, form free standing membranes or may be used for lab-on-a-chip applications.

60 APPLIED LIFE SCIENCES↗

CO 2 capture in lignin-derived and nitrogen-doped hierarchical porous carbons

Here, nitrogen-doped and hierarchical porous carbons were synthesized from lignin precursor by KOH and NH 3 activation with BET surface area of 1631–2922 m 2 /g. X-ray photoelectron spectroscopy (XPS) revealed 5.6–7.1 at.% nitrogen with predominantly pyridinic, amino and pyrrolic/pyridonic type of functionality. Maximum CO 2 adsorption capacity at 298 K and 273 K and pressure upto 760 torr (1 bar) was found to be 5.48 and 8.6 mmol/g respectively, which is higher than that of majority of nitrogen-doped carbons, reported in literature. Ideal Adsorbed Solution Theory (IAST)-based selectivity for CO 2 /N 2 revealed that selectivity increases with the increase in nitrogen content. IAST calculations were also employed to calculate the binary adsorption isotherms to simulate mixed gas adsorption for CO 2 and N 2 as a function of total pressure and mole fraction of CO 2 in the gas mixture. Continuous CO 2 adsorption-desorption studies for 10 cycles revealed that all the nitrogen-doped carbons retained its working capacity at the end of the cycles. Finally, a breakthrough study for (10/90) CO 2 /N 2 mixture in a dynamic column experiment confirmed a physical separation of the two components. The overall results suggest that nitrogen-doped carbons from lignin can be used as potential adsorbents for CO 2 capture purposes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Deconvolving distribution of relaxation times, resistances and inductance from electrochemical impedance spectroscopy via statistical model selection: Exploiting structural-sparsity regularization and data-driven parameter tuning

The distribution of relaxation times (DRT) has drawn increasing attention for interpreting electrochemical impedance spectroscopy (EIS). Deconvolution of DRT from EIS is a challenging ill-posed problem that requires regularization methods. In this work, we formulate DRT reconstruction task as a statistical model selection problem with structural-sparsity penalties. We utilize the Elastic net regularization that simultaneously benefits from Ridge and Lasso regularizations with optimal tuning parameter automatically determined by the information criteria. We benchmark our approach on four synthetic experiments (a ZARC element, ZARC mixtures, a RC circuit and a Fractal element) and two real EIS datasets of a Lithium ion battery and an organic-inorganic halide class of perovskites in oxygen environment at different gas pressures. We demonstrate the superiority of proposed model selection procedure, that is capable of eliminating pseudo peaks and representing asymmetries in DRT as well as precisely estimating resistances. Here, we highlight our approach is robust to reducing and subsampling EIS frequency range, making it a promising tool for timing-resolved, localized and large scale EIS data analysis. For the Lithium ion battery data analysis, we extend the classical DRT model to incorporate the inductive effect and illustrate DRT as a guidance for equivalent circuit modeling to refine impedance reconstruction at low risks of overfitting. Furthermore, the structural-sparsity regularization could be extended for multidimensional and Bayesian EIS data analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phase diagrams and microstructures of aqueous short alkyl chain polyethylene glycol ether carboxylate and carboxylic acid triblock surfactant solutions

The surfactant C 8 Eo 8 CH 2 COOH (Akypo LF2) and its salts have a small hydrophobic and a significantly longer hydrophilic part. As a consequence, there must be a significant steric constraint, once these surfactant molecules form micelles. In addition, the partially charged headgroups should bring some additional fine-tuning via electrostatic interactions to this "essentially non-ionic" surfactant. Experiments: Phase diagrams of binary mixtures of water and C 8 Eo 8 CH 2 COOH are established over large concentration and temperature ranges, also at different pHs and in the presence of sodium and calcium ions. Surface tensions and osmotic pressures are measured to understand the systems. To evaluate the microstructures, also Dynamic Light Scattering and Small-Angle X-ray Scattering are performed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Taking Advantage of Disorder: Small-Molecule Organic Glasses for Radiation Detection and Particle Discrimination

A series of fluorescent silyl-fluorene molecules were synthesized and studied with respect to their photophysical properties and response toward ionizing neutron and gamma-ray radiation. Optically transparent and stable organic glasses were prepared from these materials using a bulk melt-casting procedure. The prepared organic glass monoliths provided fluorescence quantum yields and radiation detection properties exceeding the highest-performing benchmark materials such as solution-grown trans -stilbene crystals. Co-melts based on blends of two different glass-forming compounds were prepared with the goal of enhancing the stability of the amorphous state. Accelerated aging experiments on co-melt mixtures ranging from 0% to 100% of each component indicated improved resistance to recrystallization in the glass blends, able to remain fully amorphous for >1 month at 60 °C. Secondary dopants comprising singlet fluorophores or iridium organometallic compounds provided further improved detection efficiency, as evaluated by light yield and neutron/gamma particle discrimination measurements. As a result, optimized singlet and triplet doping levels were determined to be 0.05 wt % 1,4-bis(2-methylstyryl)benzene singlet fluorophore and 0.28 wt % Ir 3+ , respectively.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Reversible coordinative binding and separation of sulfur dioxide in a robust metal–organic framework with open copper sites

Emissions of SO 2 from flue gas and marine transport have detrimental impacts on the environment and human health, but SO 2 is also an important industrial feedstock if it can be recovered, stored and transported efficiently. In this paper, we report the exceptional adsorption and separation of SO 2 in a porous material, [Cu 2 (L)] (H 4 L = 4',4'''-(pyridine-3,5-diyl)bis([1,1'-biphenyl]-3,5-dicarboxylic acid)), MFM-170. MFM-170 exhibits fully reversible SO 2 uptake of 17.5 mmol g -1 at 298 K and 1.0 bar, and the SO 2 binding domains for trapped molecules within MFM-170 have been determined. We report the reversible coordination of SO 2 to open Cu(II) sites, which contributes to excellent adsorption thermodynamics and selectivities for SO 2 binding and facile regeneration of MFM-170 after desorption. MFM-170 is stable to water, acid and base and shows great promise for the dynamic separation of SO 2 from simulated flue gas mixtures, as confirmed by breakthrough experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Space processing of composite materials

Materials and processes for the testing of aluminum-base fiber and particle composites, and of metal foams under extended-time low-g conditions were investigated. A wetting and dispersion technique was developed, based on the theory that under the absence of a gas phase all solids are wetted by liquids. The process is characterized by a high vacuum environment and a high temperature cycle. Successful wetting and dispersion experiments were carried out with sapphire fibers, whiskers and particles, and with fibers of silicon carbide, pyrolytic graphite and tungsten. The developed process and facilities permit the preparation of a precomposite which serves as sample material for flight experiments. Low-g processing consists then merely in the uniform redistribution of the reinforcements during a melting cycle. For the preparation of metal foams, gas generation by means of a thermally decomposing compound was found most adaptable to flight experiments. For flight experiments, the use of compacted mixture of the component materials limits low-g processing to a simple melt cycle.

Steurer, W. H.↗

Apparatus and methodology for fire gas characterization by means of animal exposure

While there is a great deal of information available from small-scale laboratory experiments and for relatively simple mixtures of gases, considerable uncertainty exists regarding appropriate bioassay techniques for the complex mixture of gases generated in full-scale fires. Apparatus and methodology have been developed based on current state of the art for determining the effects of fire gases in the critical first 10 minutes of a full-scale fire on laboratory animals. This information is presented for its potential value and use while further improvements are being made.

Marcussen, W. H.↗

On the sources of ultraviolet absorption in spectra of Titan and the outer planets

In response to observations of the ultraviolet deficiencies shown by all of the outer planets and Titan, models have been proposed to explain the low albedos in terms of absorption by particles in the upper atmospheres of these objects. These particles are generally believed to be photochemically formed from gases in the upper atmospheres, primarily methane and hydrogen. Such processes may also be operative on Titan. Results of some laboratory experiments on proton irradiation of mixtures of gases including CH4, H2, and NH3 have shown that liquid and solid materials are produced that are strong ultraviolet absorbers. However, the material produced from the CH4 + H2 mixture was colorless, indicating that species containing elements other than carbon and hydrogen are necessary for the production of color. Two such elements are nitrogen (as NH3 or N2) and sulfur (as H2S); colored materials have been produced from such mixtures. None of these materials has spectral properties identical to those shown by the planets. Therefore it is necessary that mixtures (and/or cloud layers) of the photochemical materials be present.

Scattergood, T.↗

Noble gas trapping and fractionation during synthesis of carbonaceous matter

An investigation of noble gas entrapment during synthesis of carbonaceous, macromolecular, and kerogen-like substances is presented. High molecular weight organic matter synthesized in aqueous condensation reactions contained little gas, and the composition was consistent with fractionation due to noble gas solubility in water; however, propane soot produced during a modified Miller-Urey experiment in an aritificial gas mixture contained high concentrations of trapped noble gases that displayed strong elemental fractionation from their reservoirs. It is concluded that theses experiemnts show that processes exist for synthesis of carbonaceous carriers that result in high noble gas concentrations and strong elemental fractionation at temperatures well above those required by absorption to achieve similar effects.

Frick, U.↗

Measurements of physical properties of model Titan atmospheres

One aspect of the study of Titan's atmosphere is the elucidation of the chemical and physical nature of the aerosols. In order to facilitate this, a program to produce laboratory synthesized model materials for Titan's aerosol and to study their chemical and physical properties is now in progress. Various processes, including electric discharge, photolysis by ultraviolet light, and irradiation by energetic particles, will be used to produce the materials. A first set of experiments where a nominal Titan mixture (97%N2, 3% CH4, 0.2% H2) was subjected to pulsed high temperature shocks yielded a reddish brown waxy solid. This material was subjected to pyrolysis/gas chromatography, a technique that has been proposed as a method for analysis of the Titan aerosols. Preliminary results show the material to consist of simple hydrocarbons but little else, at least up to temperatures of 600 C. Since the material was colored, compounds other than those mentioned above must be present.

Scattergood, T. W.↗

Electrochemical processing of solid waste

The investigation into electrolysis as a means of waste treatment and recycling on manned space missions is described. The electrochemical reactions of an artificial fecal waste mixture was examined. Waste electrolysis experiments were performed in a single compartment reactor, on platinum electrodes, to determine conditions likely to maximize the efficiency of oxidation of fecal waste material to CO2. The maximum current efficiencies for artificial fecal waste electrolysis to CO2 was found to be around 50 percent in the test apparatus. Experiments involving fecal waste oxidation on platinum indicates that electrodes with a higher overvoltage for oxygen evolution such as lead dioxide will give a larger effective potential range for organic oxidation reactions. An electrochemical packed column reactor was constructed with lead dioxide as electrode material. Preliminary experiments were performed using a packed-bed reactor and continuous flow techniques showing this system may be effective in complete oxidation of fecal material. The addition of redox mediator Ce(3+)/Ce(4+) enhances the oxidation process of biomass components. Scientific literature relevant to biomass and fecal waste electrolysis were reviewed.

Bockris, J. OM.↗

Comets and life

Some of the chemical species which have been detected in comets include H2O, HCN, CH3CN, CO, CO2, NH3, CS, C2 and C3. All of these have also been detected in the interstellar medium, indicating a probable relationship between interstellar dust and gas clouds and comets. Laboratory experiments carried out with different mixtures of these molecules give rise to the formation of the biochemical compounds which are necessary for life, such as amino acids, purines, pyrimidines, monosaccharides, etc. However, in spite of suggestions to the contrary, the presence of life in comets is unlikely. On the other hand, the capture of cometary matter by the primitive earth is considered essential for the development of life on this planet. The amount of cometary carbon-containing matter captured by the earth, as calcualted by different authors, is several times larger than the total amount of organic matter present in the biosphere (10 to the 18th g). The major classes of reactions which were probably involved in the formation of key biochemical compounds are discussed. The tentative conclusions are that: (1) comets played a predominant role in the emergence of life on earth, and (2) they are the cosmic connection with extraterrestrial life.

Oro, J.↗

A method of analyzing holographic interferograms of ballistic models in hypersonic free-flight

The objective of this research was to develop a method to extract integrated flowfield density information from finite-fringe interferograms produced with a laser holographic interferometer. This method was applied to two sets of holograms. An aeroassist flight experiment model flown in a mixture of 50 percent air - 50 percent argon and a blunt slender cone flown in air were flown at Mach 14.5 into freestream static pressures of 0.04 and 0.08 atm, respectively. The method of analysis can be separated into two main divisions. The first step is to identify fringes inside the wake in terms of the fringes in the freestream. This is important because refraction effects have obscured the region near the shock such that fringes cannot be followed into the wake region. The second step is to extrapolate the freestream fringes into the wake to determine the location of disturbance-related fringe shifts. Coupled with assumptions about the shape of the wake region, the locations of the disturbance-related fringe shifts can be related to the integrated density.

Kieffer, Douglas L.↗