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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Investigating the Effects of Chemical Mechanism on Soot Formation Under High-Pressure Fuel Pyrolysis

We performed Computational Fluid Dynamics (CFD) simulations using a Reynolds-Averaged Navier-Stokes (RANS) turbulence model of high-pressure spray pyrolysis with a detailed chemical kinetic mechanism encompassing pyrolysis of n-dodecane and formation of polycyclic aromatic hydrocarbons. We compare the results using the detailed mechanism and those found using several different reduced chemical mechanisms to experiments carried out in an optically accessible, high-pressure, constant-volume combustion chamber. Three different soot models implemented in the CONVERGE CFD software are used: an empirical soot model, a method of moments, and a discrete sectional method. There is a large variation in the prediction of the soot between different combinations of chemical mechanisms and soot model. Furthermore, the amount of soot produced from all models is substantially less than experimental measurements. All of this indicates that there is still substantial work that needs to be done to arrive at simulations that can be relied on to accurately predict soot formation.

02 PETROLEUM↗
NASA NTRS1973

Chemical nonequilibrium effects on the inviscid flow in the windward plane of symmetry of two simplified shuttle configurations

A theoretical study was made to delineate the effects of thermochemical nonequilibrium in the inviscid flow field of a representative space shuttle orbiter configuration. The study was based on experimental pressure data which was used as an input to a stream tube computer program. The pressure data from two configurations are tabulated. Calculations were restricted to the windward plane of symmetry and the calculations covered an altitude range from 200,000 to 250,000 feet at velocities of 16,000 to 24,000 feet per second respectively. Angles of attack of 20 and 40 degrees were included. The calculations show that the nonequilibrium effects are confined largely to the entropy layer expect at the highest altitude, where significant nonequilibrium effects are observed in the entire inviscid flow field.

Lordi, J. A.↗
NASA NTRS1979

Pyrolysis of polymeric materials. I - Effect of chemical structure, temperature, heating rate, and air flow on char yield and toxicity

Various polymeric materials, including synthetic polymers and cellulosic materials, were evaluated at different temperatures, heating rates and air flow rates for thermophysical and toxicological responses. It is shown that char yields appeared to be a function of air access as much as of the chemical structure of the material. It is stated that the sensitivity of the apparent thermal stability of some materials to air access is so marked that thermogravimetric studies in oxygen-free atmospheres may be a consistently misleading approach to comparing synthetic polymers intended to increase fire safety. Toxicity also appeared to be a function of temperature and air access as much as of the chemical structure of the material. Toxicity of the gases evolved seemed to increase with increasing char yield for some polymers.

Hilado, C. J.↗
NASA NTRS1979

Pyrolysis of polymeric materials. II - Effect of chemical structure and temperature on char yield and flammability

Various polymeric materials were evaluated at different temperatures for relative flammability as defined by the HC value, a measure of the concentration of combustibles related to the concentration representing the lower limit of flammability. Flammability generally decreased with increasing char yield. This appears to support the hypothesis that increasing char yield decreases flammability by reducing the probability of reaching the lower flammable limits.

Hilado, C. J.↗
NASA NTRS1989

Magma zonation - Effects of chemical buoyancy and diffusion

Numerical simulations and scale analysis are used to assess the viability of the marginal box-filling mechanism for producing compositional zonation in magma bodies. Scale analysis and two-dimensional numerical experiments both show that box-filling occurs provided a critical ratio of compositional-to-thermal buoyancy is exceeded. This critical ratio depends on the ratio of thermal-to-chemical diffusivity; application of this result to magma bodies suggests that box-filling may occur for components with relatively high-chemical diffusivities such as water. However, box-filling will not produce significant zonation for components with small chemical diffusivities, such as silica, unless diffusive coupling increases silica diffusivity.

Spera, Frank J.↗
NASA NTRS1990

Fluid dynamics and low gravity effects of chemical vapor deposition

Based on the comparison between experimental data and numerical results for the growth of GaAs from TMGa, it was shown that 3D simulations are necessary to simulate rectangular CVD reactors even when operated under subcritical (Ra) conditions. The important points found are summarized in the three attached reprints. The experimental studies of mixed convection in horizontal channels have shown three regimes of high Ra (22,220) number flows. At Re = 18.5, the rolls develop very quickly, significantly modulating the axial velocity even before it reaches the beginning of the hot plate. A few centimeters downstream, the velocities become asymmetric about the vertical centerplane and at x = 12 cm, become unsteady. These asymmetries were predicted theoretically, but experimental evidence has not been published prior to this work. At Re = 36, the axial velocity is only slightly modified at x = 0. Although the flow remains steady and symmetric about the vertical centerplane, there is a small spatial oscillation in the velocities over the length of the channel. The period of this oscillation was around 5 cm. At Re = 54, the longitudinal rolls developed smoothly over a length of 30 cm, with no asymmetries, unsteadiness, or spatial oscillations. Comparison of numerical simulations of these flows to experiments has revealed the importance and difficulty of setting proper thermal boundary conditions on the sidewalls. Calculated flows and experimentally measured flows showed very similar profiles, but at different axial locations, with the rolls developing more rapidly in the experiments. This is directly attributable to partially conducting sidewalls of the apparatus being hotter in the entrance section than the adiabatic walls of the simulations. A thorough comparison of the experimental data and numerical results for a variety of sidewall boundary conditions is in preparation.

Nyce, Thomas A.↗
NASA NTRS1991

Effect of chemical kinetics uncertainties on calculated constituents in a tropospheric photochemical model

Random photochemical reaction rates are employed in a 1D photochemical model to examine uncertainties in tropospheric concentrations and thereby determine critical kinetic processes and significant correlations. Monte Carlo computations are used to simulate different chemical environments and their related imprecisions. The most critical processes are the primary photodissociation of O3 (which initiates ozone destruction) and NO2 (which initiates ozone formation), and the OH/methane reaction is significant. Several correlations and anticorrelations between species are discussed, and the ozone/transient OH correlation is examined in detail. One important result of the modeling is that estimates of global OH are generally about 25 percent uncertain, limiting the precision of photochemical models. Techniques for reducing the imprecision are discussed which emphasize the use of species and radical species measurements.

Thompson, Anne M.↗
NASA NTRS1991

Effect of chemical form of selenium on tissue glutathione peroxidase activity in developing rats

The hypothesis that the stage of development of rats may affect the availability of various forms of selenium for the activity of glutathione peroxidase (GSHPx) in the rat was experimentally investigated. One experiment evaluated the availability of selenium as selenite or selenomethionine for GSPHx activity during three developmental states in rats: fetus and 7-day old and 14-day old nursing pups. In all tissues studied, GSHPx activity was highest in the 14-day-old pups whose dams were in the selenomethionine group. Rat pups given intraperitoneal selenite had higher liver and kidney GSHPx activity than pups given the same amount of selenium as intraperitoneal selenomethionine. In a second experiment, all dams were fed the same basal diet and pups were weaned to diets containing one of two levels of selenium and one of three forms of selenium (selenite, selenomethionine, or selenocystine). The results also supported the hypothesis these dietary forms of selenium are differentially available for GSHPx activity.

Lane, Helen W.↗
NASA NTRS1996

International Research Project on the Effects of Chemical Ageing of Polymers on Performance Properties: Chemical and Thermal Analysis

Work during the past six months has included significant research in several areas aimed at further clarification of the aging and chemical failure mechanism of thermoplastics (PVDF or Tefzel) pipes. Among the areas investigated were the crystallinity changes associated with both the Coflon and Tefzel after various simulated environmental exposures using X-ray diffraction analysis. We have found that significant changes in polymer crystallinity levels occur as a function of the exposures. These crystallinity changes may have important consequences on the fracture, fatigue, tensile, and chemical resistance of the materials. We have also noted small changes in the molecular weight distribution. Again these changes may result in variations in the mechanical and chemical properties in the material. We conducted numerous analytical studies with methods including X-ray Diffraction, Gel Permeation Chromatography, Fourier Transform Infrared Spectroscopy, Ultra- Violet Scanning Analysis, GC/Mass Spectrometry, Differential Scanning Calorimetry and Thermomechanical Analysis. In the ultra-violet analysis we noted the presence of an absorption band indicative of triene formation. We investigated a number of aged samples of both Tefzel and Coflon that were forwarded from MERL. We also cast films at SWT and subjected these films to a refluxing methanol 1% ethylene diamine solution. An updated literature search was conducted using Dialog and DROLLS to identify any new papers that may have been published in the open literature since the start of this project. The updated literature search and abstracts are contained in the Appendix section of this report.

Bulluck, J. W.↗
NASA NTRS1960

Heat Diffusion in Gases, Including Effects of Chemical Reaction

The diffusion of heat through gases is treated where the coefficients of thermal conductivity and diffusivity are functions of temperature. The diffusivity is taken proportional to the integral of thermal conductivity, where the gas is ideal, and is considered constant over the temperature interval in which a chemical reaction occurs. The heat diffusion equation is then solved numerically for a semi-infinite gas medium with constant initial and boundary conditions. These solutions are in a dimensionless form applicable to gases in general, and they are used, along with measured shock velocity and heat flux through a shock reflecting surface, to evaluate the integral of thermal conductivity for air up to 5000 degrees Kelvin. This integral has the properties of a heat flux potential and replaces temperature as the dependent variable for problems of heat diffusion in media with variable coefficients. Examples are given in which the heat flux at the stagnation region of blunt hypersonic bodies is expressed in terms of this potential.

Hansen, C. Frederick↗