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Thermodynamic property data tables for CHNOPS compounds and heats of combustion and formation for organic compounds of biological interest
The effects of exhaust gases from supersonic transport aircraft on the equilibrium of the stratosphere are discussed. A method for reducing the amount of nitrogen oxides generated by the engines of supersonic transports is describes. The engine requirements for the turbojet engines of the supersonic transport aircraft are defined. The design of combustion chambers to provide premixed flames and the thermodynamic properties of premixed flames are analyzed. Charts are developed to show the isotherms of the ignited mixtures for various conditions and the mass fraction of nitrogen oxide along selected streamlines.
Measurement techniques used during nine years of intensive research in supersonic combustion are presented. The tests employed a number of combustor and injector configurations, which were directly connected to a Mach 3.2 supersonic nozzle, and both gaseous hydrogen and storable liquid fuels. Nominal plenum conditions for the arc-heated air were 3000 to 4500 R and 30 atm. Measurements included wall surface pressures, wall temperatures, heat flux, skin friction, instream cone-static and pitot pressures, and gas samples. Measurement and analysis techniques have been developed for determining total enthalpy of an airstream containing NO concentrations in excess of equilibrium using the two-throat technique, bulk combustion efficiency using steam calorimetry, radial gradients of fluid properties in the combustor exit plane using a stream tube method, and wall shear from measurements of heat transfer in a reacting supersonic flow using Reynolds analogy.
A limited number of coating options for titanium gas turbine engine components were explored with the objective of minimizing potential combustion initiation and propagation without adversely affecting component mechanical properties. Objectives were met by two of the coatings, ion-plated platinum plus electroplated copper plus electroplated nickel and ion vapor deposited aluminum.
Risk assessment, safety analysis of the automotive stirling engine (ASE) mod I, design criteria and materials properties for the ASE mod I and reference engines, combustion are flower development, and the mod I engine starter motor are discussed. The stirling engine system, external heat system, hot engine system, cold engine system, and engine drive system are also discussed.
The application of tunable excimer lasers in combustion and flow diagnostics is almost routine nowadays. The properties of this laser system that enable density and temperature measurements in supersonic and hypersonic flow fields to be conducted are its high power, high repetition rate, and high spectral brightness. The limitation imposed by this system on these measurements is the paucity of lines in the wavelength region, the vacuum-ultraviolet, where species of interest, such as OH, N2, O2, H2, H2O, CO, NO, etc., are susceptible to electronic excitation to high-lying states. To circumvent this problem one normally resorts to nonlinear optical techniques such as frequency conversion via stimulated Raman scattering (SRS), more commonly known as Raman shifting or Raman mixing, to extend these nonintrusive and nonperturbing techniques to the shorter wavelengths in the VUV region and, for that matter, to longer wavelengths in the infrared region, if the need arises. The theoretical basis of SRS and its application are well documented in the literature. In essence, the Raman shift is a consequence of the inelastic scattering of the incident radiation by the sample. Most of the scattered radiation from the molecules of the sample is unchanged in frequency. However, a small fraction of the incident radiation is changed in frequency. This shift is a result of the fact that some of the incident photons on colliding with the molecules of the sample give up some of their energy and emerge with a lower energy resulting in the lower-frequency Stokes radiation. Other incident photons may increase their energy by colliding with the vibrationally excited molecules of the medium and emerge as higher-frequency antistokes radiation. The generation of the latter is the main objective of this project. The process, however, depends on several factors, including the beam quality of the pump laser, the cross-section of the gaseous medium, the gas pressure, and the ambient temperature of the gas near the focal region. Furthermore, since the Raman shifting process is polarization sensitive, it is necessary to have all of the laser energy in a single polarization. These factors were taken into consideration in the execution of the project. The implementation of the Raman shift was accomplished by focusing the 193 nm output of an ArF excimer laser (Lamda-Physik LPX 150) into a 1-meter long high pressure recirculating Raman cell filled with H2 gas. The laser system was modified in order to improve the mode quality of the pump beam to enhance the Raman shifting. To accomplish this feat, a prism beam expander and grating on the oscillator discharge provided wavelength tuning over the excimer gain profile. Furthermore, a triple-pass configuration, as opposed to unstable resonator optics, was employed in the operation of the amplifier cavity so that when the oscillator output radiation, focused by a 51-cm focal length fused silica lens through a 50 micron pinhole (serving as a spatial filter) and recollimated with a 25-cm focal length lens, was fed into the amplifier, it was injection locked, thereby providing tunable radiation with relatively low divergence. The forward scattered radiation emanating from the impingement of the modified pump beam on the Raman cell was detected using an energy meter after the latter had been separated from it using a dispersing prism.
This paper highlights results from the first of a series of hierarchical simulations aimed at assessing the modeling requirements for application of the large eddy simulation technique to cryogenic injection and combustion processes in liquid rocket engines. The focus is on liquid-oxygen-hydrogen coaxial injectors at a condition where the liquid-oxygen is injected at a subcritical temperature into a supercritical environment. For this situation a diffusion dominated mode of combustion occurs in the presence of exceedingly large thermophysical property gradients. Though continuous, these gradients approach the behavior of a contact discontinuity. Significant real gas effects and transport anomalies coexist locally in colder regions of the flow, with ideal gas and transport characteristics occurring within the flame zone. The current focal point is on the interfacial region between the liquid-oxygen core and the coaxial hydrogen jet where the flame anchors itself.
This paper highlights results from the first of a series of hierarchical simulations aimed at assessing the modeling requirements for application of the large eddy simulation technique to cryogenic injection and combustion processes in liquid rocket engines. The focus is on liquid-oxygen-hydrogen coaxial injectors at a condition where the liquid-oxygen is injected at a subcritical temperature into a supercritical environment. For this situation a diffusion dominated mode of combustion occurs in the presence of exceedingly large thermophysical property gradients. Though continuous, these gradients approach the behavior of a contact discontinuity. Significant real gas effects and transport anomalies coexist locally in colder regions of the flow, with ideal gas and transport characteristics occurring within the flame zone. The current focal point is on the interfacial region between the liquid-oxygen core and the coaxial hydrogen jet where the flame anchors itself.
CFD methods are employing semi-empirical models used in analysis of hypersonic airbreathing engine flow paths. RANS (or Favre averaged) codes have models for turbulent stresses, mass and energy transport; turbulence chemistry interactions. LES methods have models for subgrid scale turbulence. Models depend upon experimental data for validation. Information on mean flow and statistics of the turbulent fluctuation in flow properties is useful. Data requirements: simple well defined supersonic combustion flows with well-known boundary conditions, time and spatially resolved, good instrument precision, and converged statistics. Approach: dual-pump CARS and planar laser-induced fluorescence imaging of OH radical (PLIF).
Stochastic preignition (SPI) is an abnormal combustion phenomenon that can cause catastrophic engine damage. There have been several proposed mechanisms of SPI, where a uniform source is still not certain, however, SPI tendencies have been shown to be influenced by engine operating conditions, oil composition, engine age, and fuel chemical and physical properties. Laboratory research and testing for SPI propensity is challenging given the stochastic nature of events, as well as the potential for significant degradation of the engine platform and measuring equipment over time. Thus, SPI specific experiments are generally conducted under either sustained or cyclic patterning of steady-state operating conditions to avoid the influence of transient engine boundary conditions on test parameters of interest (e.g. oil additive package, fuel properties, engine speed/load, etc.). In this work a cyclically varying SPI test sequence involves a 5 min engine warmup period at a low engine load of around 4 bar gross indicated mean effective pressure (IMEPg), followed by a transition to high load (~20 bar IMEPg) at a constant 2000 rev/min engine speed for a total of 25 min. This individual test sequence load schedule is then sequentially repeated 10 times to generate significant statistical data for analysis. This work examines the influence of fuel chemical and physical properties on SPI tendency during the unsteady portion of the 10-cycle sequence (the first 5 min of the high load operation in each sequence of the loading cycle) which has been discarded from previous analyses due to the uncertainty in engine operating and thermal boundary conditions. Results from this analysis suggest an increasing trend in the ratio of SPI events during the unsteady test period relative to the steady test period with increasing fuel Reid Vapor Pressure (RVP), implying differences in uncontrolled ignition source terms, possibly from, fuel wall interactions and retention during the load transition phase of the test.
Transport properties for collisions of hydrogen atoms with CO and CO{sub 2} have been computed by means of quantum scattering calculations. The carbon oxides are important species in hydrocarbon combustion. The following potential energy surfaces (PES’s) for the interaction of the molecule fixed in its equilibrium geometry were employed: for H–CO, the PES was taken from the work of Song et al. [J. Phys. Chem. A 117, 7571 (2013)], while the PES for H–CO{sub 2} was computed in this study by a restricted coupled cluster method that included single, double, and (perturbatively) triple excitations. The computed transport properties were found to be significantly different from those computed by the conventional approach that employs isotropic Lennard-Jones (12-6) potentials. The effect of using the presently computed accurate transport properties in 1-dimensional combustion simulations of methane-air flames was investigated.
Many researchers have defined the phenomenon of 'slagging' as the deposition of ash in the radiative section of a boiler, while 'fouling' refers to the deposition of ash in the convective-pass region. Among the important parameters affecting ash deposition that need to be studied are ash chemistry, its transport, deposit growth, and strength development; removability of the ash deposit; heat transfer mechanisms; and the mode of operation for boilers. The heat transfer at the walls of a combustor depends on many parameters including ash deposition. This depends on the processes or parameters controlling the impact efficiency and the sticking efficiency. For a slagging combustor or furnace, however, the temperatures are so high that much of the coal particles are melted and the molten layer, in turn, captures more particles as it flows. The main problems with ash deposition are reduced heat transfer in the boiler and corrosion of the tubes. Common ways of dealing with these issues are soot blowing and wall blowing on a routine basis; however, unexpected or uncontrolled depositions can also complicate the situation, and there are always locations inaccessible to the use of such techniques. Studies have indicated that slag viscosity must be within a certain range of temperatures for tapping and the membrane wall to be accessible, for example, between 1300 C and 1500 C, the viscosity is approximately 25 Pa {center_dot} s. As the operating temperature decreases, the slag cools and solid crystals begin to form. In such cases the slag should be regarded as a non-Newtonian suspension, consisting of liquid silicate and crystals. A better understanding of the rheological properties of the slag, such as yield stress and shear-thinning, are critical in determining the optimum operating conditions. To develop an accurate heat transfer model in any type of coal combustion or gasification process, the heat transfer and to some extent the rheological properties of ash and slag, especially in high-temperature environments need to be understood and properly modeled. The viscosity of slag and the thermal conductivity of ash deposits are among two of the most important constitutive parameters that need to be studied. The accurate formulation or representations of the (transport) properties of coal (and biomass for co-firing cases) present a special challenge of modeling efforts in computational fluid dynamics applications. In this report, we first provide a brief review of the various approaches taken by different researchers in formulating or obtaining a slag viscosity model. In general, these models are based on experiments. Since slag behaves as a non-linear fluid, we discuss the constitutive modeling of slag and the important parameters that must be studied.
There are numerous incidents where operating conditions imposed on a component mandate different and distinct mechanical property requirements from location to location within the component. Examples include a crankshaft in an internal combustion engine, gears for an automotive transmission, and disks for a gas turbine engine. Gas turbine disks are often made from nickel-base superalloys, because these disks need to withstand the temperature and stresses involved in the gas turbine cycle. In the bore of the disk where the operating temperature is somewhat lower, the limiting material properties are often tensile and fatigue strength. In the rim of the disk, where the operating temperatures are higher than those of the bore, because of the proximity to the combustion gases, resistance to creep and crack growth are often the limiting properties.
The main goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods, and extends them to understand some important properties of materials in condensed phases and interstellar medium as well as in combustion environments.
Gasoline Compression Ignition is a novel combustion concept that derives its superiority from the high compression ratio of a compression ignition engine as well as the properties of gasoline fuel, such as longer ignition delay and higher volatility compared to diesel. Here, this combustion concept was experimentally tested on a 12.4L Class 8 truck engine. Based on these experimental data, prior efforts by the authors focused on the development of an engine model for a heavy-duty engine operating on a low-reactivity fuel. This engine model was leveraged within this study to investigate a combustion control strategy at different engine conditions and injection methods and was augmented to incorporate cycle-to-cycle combustion variations. State estimation is performed by means of a Kalman filter which feeds into a model predictive controller. The model predictive controller chooses control actions based on a predefined cost function under consideration of bounds reflecting physical constraints. The engine model was utilized to establish a state-space model that serves the Kalman filter and model predictive controller for estimation and prediction. A comparative study investigating control actions and engine behavior was performed with and without limiting in-cylinder peak pressure as well as combustion noise, which is of particular interest for early pilot injection strategies. In addition, the proposed control architecture was investigated at two different levels of cycle-to-cycle variations and compared to the performance of a control structure with input disturbance rejection. For increased cycle-to-cycle variations, disturbance estimation reduces state fluctuations and control effort. In general, this investigation highlights control aspects specific to a compression-ignited combustion regime with low-reactivity fuel. The control algorithm is able to maintain the desired references for brake mean effective pressure and combustion phasing while controlling peak in-cylinder pressure and combustion noise.
Here in this study, elastic scattering was employed to investigate diesel fuel property effects on the liquid length (i.e., the maximum extent of in-cylinder liquid-phase fuel penetration) using select research fuels: an ultralow-sulfur #2 diesel emissions-certification fuel (CF) and four of the Coordinating Research Council (CRC) Fuels for Advanced Combustion Engines (FACE) diesel fuels (F1, F2, F6, and F8). The experiments were performed in a single-cylinder heavy-duty optical compression-ignition engine under time-varying, noncombusting conditions to minimize the influence of chemical heat release on the liquid-length measurement. The FACE diesel fuel and CF liquid lengths under combusting conditions were also predicted using Siebers’ scaling law and pressure data from previous work using the same fuels at similar in-cylinder conditions. The objective was to observe if the liquid length under noncombusting or combusting conditions provides additional insights into the relationships among the main fuel properties (i.e., cetane number (CN), the 90 vol % distillation recovery temperature (T90), and aromatic content) and smoke emissions. Results suggest that liquid-length values are best correlated to fuel distillation characteristics measured with ASTM D2887 (simulated distillation method). This work also studied the relationship between liquid length and lift-off length, H (i.e., distance from the fuel-injector orifice exit to the position where the standing premixed autoignition zone stabilizes during mixing-controlled combustion). Two possible cases were identified based on the relative magnitudes of liquid length under combusting conditions (Lc) and H. The low-CN fuels are representative of the first case, L c < H, in which the fuel is always fully vaporized at H. The high-CN fuels are mostly representative of the second case, L c ≥ H, in which there is still liquid fuel at H. Lc ≥ H would suggest higher smoke emissions, but there is not enough evidence in this work to support a compounding effect of a longer liquid length on top of the aromatic-content effect on smoke emissions for fuels with similar CN, supporting previous findings in the literature that lift-off length plays a more important role than liquid-length on diesel combustion. At the same time, the experimental results suggest a decrease in the fuel-jet spreading angle, i.e., a decrease in the entrainment rate into the jet at and downstream of H, under combusting conditions, that is not accounted for in the model used to predict the values of $\phi$(H). Lastly, as a result, L c may be of interest for accurate predictions of $\phi$(H), especially for combustion strategies designed to lower in-cylinder soot by operating near or below the nonsooting $\phi$(H)-value (i.e., $\phi$(H) ≈ 2).
In this work, Barium Titanate (BaTiO{sub 3}) powders were synthesized via Sol-Gel auto combustion method using citric acid as a chelating agent. We study the behavior of ferroelectric and dielectric properties of pure and doped BaTiO{sub 3} on different concentration. To understand the phase and structure of the powder calcined at 900°C were characterized by X-ray Diffraction shows that tetragonal phase is dominant for pure and doped BTO and data fitted by Rietveld Refinement. Electric and Dielectric properties were characterized by P-E Hysteresis and Dielectric measurement. In P-E measurement ferroelectric loop tracer applied for different voltage. The temperature dependant dielectric constant behavior was observed as a function of frequency recorded on hp-Hewlett Packard 4192A, LF impedance, 5Hz-13Hz analyzer.
Graphical abstract: A plot of crystallite size against the normalized values of resistivity, dielectric constant and the drift mobility of the CuFe{sub 2}O{sub 4} materials. Highlights: {yields} The CuFe{sub 2}O{sub 4} materials of different crystallite sizes of <100 nm are prepared by sol-gel method and others of the size of >100 nm by combustion method. {yields} The synthesized samples are characterized for different electrical, dielectrical, magnetic and structural properties. {yields} The results show a sudden change in dc-electrical resistivity, Curie temperature, dielectric parameters, etc. when their crystallite size approaches 84 nm. {yields} This study shows transition from bulk to the nano regime takes place at the particle size of 84 nm. -- Abstract: An attempt has been made to clarify the fundamental assumption that the properties of materials change as the crystallite size of the material is reduced below 100 nm. CuFe{sub 2}O{sub 4} samples of different crystallite sizes were prepared by the sol-gel and combustion methods and then analyzed by X-ray diffraction (XRD), thermal analyses (TGA/DTG) and scanning electron microscopy (SEM) techniques. The magnetic properties were studied by measuring the AC magnetic susceptibility ({chi}) and the Moessbauer spectroscopy. The DC electrical resistivity, dielectric constant, dielectric loss tangent, Curie temperature and hyperfine splitting of the samples change with the crystallite size. The change in the electrical properties is attributed to the formation of discrete energy levels instead of the bands. However, the magnetic parameters change due to the existence of non magnetic surface layers. The isomer shift and the hyperfine splitting show gradual increase with the increase in crystallite sizes.