Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “mixture experiments”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Metallurgical processing in space

Research in metallurgical processing to study the effects of reduced gravity started with Apollo 14 and advanced with Skylab. Experiments provided specimens for analysis which solidified while constrained and while freely floating, which contained a mixture of normally immiscible materials, demonstrated enhanced capillary flow, solubility and ordered growth of a directionally solidified eutectic. The smaller, equiaxed grain structure obtained in reduced gravity compared to the larger, elongated grains obtained in one gravity indicate a difference in convection due to gravity in constrained solidification. Freely floating nickel alloy specimens showing metallic gas evolution at low pressure and reduced gravity suggest reduced pressure reactions which cannot occur on earth even in high vacuum chambers due to the hydrostatic head in the molten metal. Directionally solidified eutectics showed fewer termination defects when grown in reduced gravity. These are a few of the differences observed due to reduced gravity which could have important consequences on the future of metallurgy. In this paper we attempt to correlate the results of several Skylab solidification experiments.

Mckannan, E. C.↗
NASA NTRS2000

Magnetically Actuated Propellant Orientation Experiment, Controlling Fluid Motion With Magnetic Fields in a Low-Gravity Environment

This report details the results of a series of fluid motion experiments to investigate the use of magnets to orient fluids in a low-gravity environment. The fluid of interest for this project was liquid oxygen (LO2) since it exhibits a paramagnetic behavior (is attracted to magnetic fields). However, due to safety and handling concerns, a water-based ferromagnetic mixture (produced by Ferrofluidics Corporation) was selected to simplify procedures. Three ferromagnetic fluid mixture strengths and a nonmagnetic water baseline were tested using three different initial fluid positions with respect to the magnet. Experiment accelerometer data were used with a modified computational fluid dynamics code termed CFX-4 (by AEA Technologies) to predict fluid motion. These predictions compared favorably with experiment video data, verifying the code's ability to predict fluid motion with and without magnetic influences. Additional predictions were generated for LO2 with the same test conditions and geometries used in the testing. Test hardware consisted of a cylindrical Plexiglas tank (6-in. bore with 10-in. length), a 6,000-G rare Earth magnet (10-in. ring), three-axis accelerometer package, and a video recorder system. All tests were conducted aboard the NASA Reduced-Gravity Workshop, a KC-135A aircraft.

Martin, J. J.↗
DOE OSTI2025

Formation of Organic Compounds Through Meteoritic Atmospheric Shock

This document is a Final Technical Report for DoE award DE-SC0023375 “Formation of Organic Compounds Through Meteoritic Atmospheric Shock”. The document includes a summary of topics studied, specific tasks completed, challenges, and results from the project. The main goal of this project was to investigate the production of organic molecules and/or complex inorganic precursor molecules in a plasma environment reminiscent of the environment surrounding meteoroids during atmospheric entries. The specific hypothesis tested in this project was that meteoroid ablation during the entry and the chemical reactions in the meteoroid plasma tail could have produced significant amounts of organics or precursor inorganics in the Early Earth’s atmosphere. Investigation of these processes is essential in understanding the origins of life on Earth and the search for life beyond our planet. This project was focused on a set of experiments conducted at the Utilizing the DIII-D tokamak in San Diego, CA. The experiments aimed to study the interaction of carbonaceous and silica materials (typically found in meteoroids) with mixtures of hot plasma gases (mimicking atmospheric entry conditions. The material samples and gas mixtures were selected to investigate the synthesis of the organic compound urea – a key ingredient in the origin of life – or one of its precursor, the complex inorganic compound ammonia.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Ionic Liquid Development for Absorption Heat Pump Applications

Ionic liquids (ILs) are a unique class of solvents with many potential applications, including absorption heating/cooling. Due to the large number of possible combinations of cations and anions, it is possible to tune the IL to obtain the required properties for the application of interest. Many ILs are very hydrophilic, while even the most hydrophobic ILs often absorb significant amounts of water. The presence of water in an IL can have a large effect on the system properties. For instance, a small amount of dissolved water often leads to a dramatic reduction in the viscosity of the mixture. Dissolved water also affects the ionic conductivity of ILs and alters the solvation power of ILs for both polar and non-polar solutes. Knowledge of the phase diagram of these IL/water mixtures therefore is essential when designing absorption heating systems. Measuring isotherms often requires time consuming and/or expensive experiments, and does not necessarily lead to a deeper understanding of the molecular level interactions responsible for water-IL interactions. In contrast, molecular simulations are relatively inexpensive to perform, allowing one to screen potential ILs for a given application. Simulation also provides a detailed picture of how water and a given IL interact, thereby providing insight into ways of designing an IL to have a desired water solubility. Toward this end, atomistic-level Monte Carlo (MC) simulations have been performed to predict isotherms for a variety of IL/water mixtures. The simulations predict that exchanging some of the IL cations with a small metal cation can lead to an increase in the hydrophilicity of the IL, which impacts the capacity of the fluid and the enthalpy of mixing. Molecular dynamics simulations, which unlike Monte Carlo simulations capture timedependent properties, were also carried out to estimate the relative viscosities of the solutions.

Absorption↗
NASA NTRS2005

Aqueous Alteration of Basaltic Glass Under a Simulated Mars Atmosphere

For the past several years we have been performing experiments designed to produce brines under Mars-simulated conditions. Previously, we had generated and analyzed Mars-analog brines by allowing a mixture of minerals derived from SNC mineralogy to soak in pure water under a synthetic current-Mars atmosphere and under a gas similar to the present Mars atmosphere but with added acidic gases. The latest version of these experiments incubates basaltic glass, obtained from recent Kilauea flows (Mother's Day flow in December 2002), in pure water under a present-day Mars analog atmosphere at 25 C. This abstract and our presentation will discuss the composition of these Mars-analog brines and implications for Mars surface chemistry.

Bullock, M. A.↗
NASA NTRS2001

Effects of Flame Structure and Hydrodynamics on Soot Particle Inception and Flame Extinction in Diffusion Flames

This paper summarizes recent studies of the effects of stoichiometric mixture fraction (structure) and hydrodynamics on soot particle inception and flame extinction in diffusion flames. Microgravity experiments are uniquely suited for these studies because, unlike normal gravity experiments, they allow structural and hydrodynamic effects to be independently studied. As part of this recent flight definition program, microgravity studies have been performed in the 2.2 second drop tower. Normal gravity counterflow studies also have been employed and analytical and numerical models have been developed. A goal of this program is to develop sufficient understanding of the effects of flame structure that flames can be "designed" to specifications - consequently, the program name Flame Design. In other words, if a soot-free, strong, low temperature flame is required, can one produce such a flame by designing its structure? Certainly, as in any design, there will be constraints imposed by the properties of the available "materials." For hydrocarbon combustion, the base materials are fuel and air. Additives could be considered, but for this work only fuel, oxygen and nitrogen are considered. Also, the structure of these flames is "designed" by varying the stoichiometric mixture fraction. Following this line of reasoning, the studies described are aimed at developing the understanding of flame structure that is needed to allow for optimum design.

Axelbaum, R. L.↗
NASA NTRS1996

Solid Surface Combustion Experiment Completes a Series of Eight Successful Flights

The Solid Surface Combustion Experiment (SSCE) was the first combustion experiment to fly in the space shuttle and the first such experiment in the NASA spaceflight program since Skylab. SSCE was actually a series of experiments designed to begin to characterize flame spreading over solid fuels in microgravity and the differences of this flame spreading from normal gravity behavior. These experiments should lead to a better understanding of the physical processes involved--increasing our understanding of fire behavior, both in space and on Earth. SSCE results will help researchers evaluate spacecraft fire hazards. These experiments were conceived by the principal investigator, Professor Robert A. Altenkirch, Dean of Engineering at Washington State University. In the first five flights, the fuel sample--ashless filter paper instrumented with three thermocouples--was mounted in a sealed chamber filled with a 50-percent or 35-percent mixture of oxygen in nitrogen at pressures of 1.0, 1.5, and 2.0 atm. In the next three flights, a polymethyl methacrylate (plexiglass) fuel was instrumented with three thermocouples and tested in a 70-percent or 50-percent mixture of oxygen and nitrogen at pressures of 1.0 and 2.0 atm. SSCE is a self-contained, battery-operated experiment that can be flown either in the shuttle middeck or in the Spacelab module. More information about the hardware configuration have been published. This past year, the final two of eight flights were completed on STS-64 and STS-63. The NASA Lewis Research Center designed and built the SSCE payload and performed engineering, testing, scientific, and flight operations support. The SSCE project was supported in some way by nearly every major sector of Lewis' organization. Professor Altenkirch developed a numerical simulation of the flame-spreading process from first principles (of fluid mechanics, heat transfer, and reaction kinetics). The spread rates, flame shape, and thermodynamic data from the SSCE flights are being compared directly with the results of the computational model. Results from the eight flights will be used to formulate an improved solid-phase pyrolysis model. In addition, some results of the flights have been published and presented at international combustion symposiums. Additional solid fuel combustion experiments are being investigated for future tests with the existing hardware.

Source record↗
DOE OSTI2022

Dynamic heterogeneity and nanophase separation in rubber-toughened amine-cured highly cross-linked polymer networks

Solid state nuclear magnetic resonance (NMR) spectroscopy and small-to wide-angle X-ray scattering (SWAXS) methods were used to characterize the heterogeneous dynamics and polymer domain structure in rubber modified thermoset materials containing the diglycidyl ether of bisphenol A (DGEBA) epoxy resin and a mixture of Jeffamine reactive rubber and 4,4-diaminodicyclohexylmethane (PACM) amine curing agent. The polymer chain dynamics and morphologies as a function of the PACM/Jeffamine ratio were determined. Using dipolar-filtered NMR experiments, the resulting networks are shown to be composed of mobile and rigid regions that are separated on nanometer length scales, along with a dynamically immobilized interface region. Proton NMR spin diffusion experiments measured the dimensions of the mobile phase to range between 9 and 66 nm and varied with the relative PACM concentration. Solid state 13 C magic angle spinning NMR experiments show that the highly mobile phase is composed entirely of the dynamically flexible polyether chains of the Jeffamine rubber, the immobilized interface region is a mixture of DGEBA, PACM, and the Jeffamine rubber, with the PACM cross-linked to DGEBA predominantly residing in the rigid phase. The SWAXS results showed compositional nanophase separation spanning the 11–77 nm range. These measurements of the nanoscale compositional and dynamic heterogeneity provide molecular level insight into the very broad and controllable glass transition temperature distributions observed for these highly cross-linked polymer networks.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Impact of Variable Gas Mixtures on Bubble Size Distribution and Mass Transfer in Gas Fermentation Reactors

Gas fermentation has emerged as a promising new technology for the generation of fuels and chemicals from mixtures of greenhouse and energy rich gas streams (CO2/CH4/H2/CO) via microbial bioreaction. Example pathways include biomethanation (CO2/H2 to CH4), biogas upgrading, CO fermentation and wet-waste conversion. Effective Gas-liquid mass-transfer is an important physical phenomenon that determines the design and scale-up of these systems. There is currently a knowledge-gap regarding bubble-size distributions when using a mixture of gases with vastly different properties, which can have a significant impact on overall mass-transfer. For example, hydrogen bubbles are more buoyant compared to other relatively heavier gases (CO2/CH4/CO), resulting in a large distribution of residence times and bubble sizes. This work therefore develops a deeper understanding of bubble dynamics and interphase mass transfer in such heterogenous gas mixtures through well-resolved computational models. We use a detailed multiphase computational-fluid-dynamics (CFD) model to study the impact of gas-mixtures on overall mass-transfer in bubble column and air-lift reactors. The CFD tool previously developed by the authors (1) for simulating aerobic fermentation reactors at scale is used in this study. The Reynolds-averaged mass, momentum, energy, and species transport equations are solved for interpenetrating gas and liquid phase in this model. We use a population balance-based bubble-size-distribution model that is validated against small-scale experiments in our solver. Results pertaining to multiple simulations of gas-fermentation reactors are presented where gas mixtures with varying compositions of CO2/CH4/CO/H2 are imposed at the sparger boundaries. The spatio-temporal variations in bubble-size distribution and mass transfer coefficient is analyzed for varying superficial velocities and gas-compositions for varying sizes of bubble-column and airlift reactors.

BIOMASS FUELS,MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Experimental methods for laboratory measurements of helium spectral line broadening in white dwarf photospheres

White Dwarf (WD) stars are the most common stellar remnant in the universe. WDs usually have a hydrogen or helium atmosphere, and helium WD (called DB) spectra can be used to solve outstanding problems in stellar and galactic evolution. DB origins, which are still a mystery, must be known to solve these problems. DB masses are crucial for discriminating between different proposed DB evolutionary hypotheses. Current DB mass determination methods deliver conflicting results. The spectroscopic mass determination method relies on line broadening models that have not been validated at DB atmosphere conditions. We performed helium benchmark experiments using the White Dwarf Photosphere Experiment (WDPE) platform at Sandia National Laboratories' Z-machine that aims to study He line broadening at DB conditions. Using hydrogen/helium mixture plasmas allows investigating the importance of He Stark and van der Waals broadening simultaneously. Accurate experimental data reduction methods are essential to test these line-broadening theories. In this paper, we present data calibration methods for these benchmark He line shape experiments. We give a detailed account of data processing, spectral power calibrations, and instrument broadening measurements. Uncertainties for each data calibration step are also derived. We demonstrate that our experiments meet all benchmark experiment accuracy requirements: WDPE wavelength uncertainties are <1 Å, spectral powers can be determined to within 15%, densities are accurate at the 20% level, and instrumental broadening can be measured with 20% accuracy. Fulfilling these stringent requirements enables WDPE experimental data to provide physically meaningful conclusions about line broadening at DB conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2003

Flame Oscillations In Non-Premixed Systems Diffusion Flames and Edge-Flames

Diffusive-thermal instabilities are well known features of premixed and diffusion flames. In one of its form the instability appears as spontaneous oscillations. In premixed systems oscillations are predicted to occur when the effective Lewis number, defined as the ratio of the thermal diffusivity of the mixture to the mass diffusivity of the deficient component, is sufficiently larger than one. Oscillations would therefore occur in mixtures that are deficient in the less mobile reactant, namely in lean hydrocarbon-air or rich hydrogen-air mixtures. The theoretical predictions summarized above are in general agreement with experimental results; see for example [5] where a jet configuration was used and experiments were conducted for various inert-diluted propane and methane flames burning in inert-diluted oxygen. Nitrogen, argon and SF6 were used as inert in order to produce conditions of substantially different Lewis numbers and mixture strength. In accord with the predicted trend, it was found that oscillations arise at near extinction conditions, that for oscillations to occur it suffices that one of the two Lewis numbers be sufficiently large, and that oscillations are more likely to be observed when is relatively large.

Matalon, Moshe↗
DOE OSTI2023

Gas-Liquid Flow Modeling for Renewable Fuels Production

Aerobic/anaerobic and gas fermentation pathways have emerged as promising new technologies for the generation of renewable fuels/chemicals from biomass derived sugars, and mixtures of greenhouse/energy rich gas streams (CO2/CH4/H2/CO) via microbial action. Example pathways include sugars-to-ethanol conversion, biomethanation (CO2/H2 to CH4), biogas upgrading, CO fermentation and wet-waste conversion. Gas and liquid phase transport, mass-transfer, and mixing physics at large length scales can significantly affect microbial conversion rates, particularly when the microbial reaction requires a narrow set of conditions. These phenomena are difficult to study in small-scale bench-top reactors that are typically well-mixed. Predictive computational fluid dynamics (CFD) based simulations can therefore aid in the scale-up, design and optimization of these reactors. This work presents multiphase Euler-Euler CFD simulations of at-scale (~500 m3) bioreactors. Our mathematical model treats the gas and liquid as interpenetrating phases. This approach reduces the computational complexity of tracking individual gas bubbles that are several orders of magnitude smaller than reactor dimensions. We solve the Reynolds averaged Navier-Stokes (RANS) multiphase equations that account for phase and chemical species transport, interphase mass and momentum transfer and uses a phenomenological model for gas uptake by microbes. We use a customized solver derived from open-source CFD toolbox, OpenFOAM [1], to perform these simulations, which has been validated against small-scale reactors in our previous work [2]. There is currently a knowledge-gap regarding bubble-size distributions when using gas mixtures with vastly different properties, which can have a significant impact overall mass-transfer. For example, hydrogen bubbles are more buoyant compared to other relatively heavier gases (CO2/CH4/CO), resulting in a large distribution of residence times and bubble sizes. This work therefore develops a deeper understanding of bubble dynamics and interphase mass transfer in such heterogenous gas mixtures through well-resolved computational models. We use a population balance model (PBM) for bubble-size-distribution modeling that is validated against small-scale experiments in our solver with an uncertainty quantification study for bubble coalescence and break-up model parameters. Results pertaining to multiple simulations of gas-fermentation reactors are presented where gas mixtures with varying compositions of CO2/CH4/CO/H2 are imposed at the sparger boundaries. The spatio-temporal variations in bubble-size distribution and mass transfer coefficient are analyzed for varying superficial velocities and gas-compositions for varying sizes of bubble-column and airlift reactors. This work will also examine the performance of different reactor designs, viz. bubble column reactor, airlift reactor with an internal draft tube, and a stirred-tank reactor with Rushton impellers. Reactor mass-transfer coefficient, gas hold-up, and dissolved gas distribution are critically analyzed among reactors, and sensitivity studies pertaining to gas flow rates and reactor geometry will be presented. [1] Weller, H., Tabor, G., Jasak, H. and Fureby, C., A tensorial approach to computational continuum mechanics using object-oriented techniques, Computers in physics, 12, 6, 620--631, 1998. [2] Rahimi, M., Sitaraman, H., Humbird, D. and Stickel, J., Computational fluid dynamics study of full-scale aerobic bioreactors: Evaluation of gas-liquid mass transfer, oxygen uptake, and dynamic oxygen distribution, Chemical Engineering Research and Design, 139: 283-295.

BIOMASS FUELS↗
DOE OSTI2014

Investigation of pressure drop in capillary tube for mixed refrigerant Joule-Thomson cryocooler

A capillary tube is commonly used in small capacity refrigeration and air-conditioning systems. It is also a preferred expansion device in mixed refrigerant Joule-Thomson (MR J-T) cryocoolers, since it is inexpensive and simple in configuration. However, the flow inside a capillary tube is complex, since flashing process that occurs in case of refrigeration and air-conditioning systems is metastable. A mixture of refrigerants such as nitrogen, methane, ethane, propane and iso-butane expands below its inversion temperature in the capillary tube of MR J-T cryocooler and reaches cryogenic temperature. The mass flow rate of refrigerant mixture circulating through capillary tube depends on the pressure difference across it. There are many empirical correlations which predict pressure drop across the capillary tube. However, they have not been tested for refrigerant mixtures and for operating conditions of the cryocooler. The present paper assesses the existing empirical correlations for predicting overall pressure drop across the capillary tube for the MR J-T cryocooler. The empirical correlations refer to homogeneous as well as separated flow models. Experiments are carried out to measure the overall pressure drop across the capillary tube for the cooler. Three different compositions of refrigerant mixture are used to study the pressure drop variations. The predicted overall pressure drop across the capillary tube is compared with the experimentally obtained value. The predictions obtained using homogeneous model show better match with the experimental results compared to separated flow models.

42 ENGINEERING↗
DOE OSTI2018

Effect of Mixture Concentration Inhomogeneity on Detonation Properties in Pressure Gain Combustors (Final Report)

The objective of this project was to conduct an experimental study of the effects of mixture concentration inhomogeneity on detonation propagation. Tests were performed in a ¾” x 3” x 9’ detonation tube with a predetonator section for initiating the detonation wave and an optically accessible test section for the application of optical measurement techniques, including schlieren and acetone PLIF. Experiments were carried out using hydrogen and air under fully-premixed and partially-premixed conditions with both quiescent and flowing mixtures. The effect of hydrogen-air homogeneity and equivalence ratio was investigated.

08 HYDROGEN↗
DOE OSTI2021

High pressure, high flow rate batch mixing apparatus for high throughput experiments

An automated, high pressure, high flow rate batch mixing apparatus has been designed and constructed for rapid, stable, and repeatable mixing of multiple gases and vapors. The apparatus operates as an intermittent batch mixer with cycles of topping off fresh mixture to maintain pressure in an accumulator tank until consumed in an experimental apparatus. At high duty cycles, the apparatus can also function at steady state. This style of mixing is suitable for experiments such as high repetition rate shock tubes and other devices with intermittent flow demands. It is compact and portable, facilitating use in locations such as synchrotron light sources. The entire apparatus is heated to permit the mixing of vapors from species with low volatilities. The apparatus is fully automated and runs for extended periods with the only intervention being to refresh reagent supplies. Here, the accuracy and repeatability of the apparatus were verified by periodic gas sampling and analysis with gas chromatography. Multi-component mixtures spanning a wide range of complexity, dilution, and volatility of constituents have been prepared. The compositions of the majority of the mixture were found to be stable over several filling cycles, repeatable, and with the proper calibration of set-point conditions, accurate. Challenges were encountered preparing a mixture from multi-component liquids, and potential solutions are discussed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2012

Isotope separation of {sup 17}O by photodissociation of ozone with near-infrared laser irradiation

Oxygen-17 is a stable oxygen isotope useful for various diagnostics in both engineering and medical applications. Enrichment of {sup 17}O, however, has been very costly due to the lack of appropriate methods that enable efficient production of {sup 17}O on an industrial level. In this paper, we report the first {sup 17}O-selective photodissociation of ozone at a relatively high pressure, which has been achieved by irradiating a gas mixture of 10 vol% O{sub 3}-90 vol% CF{sub 4} with narrowband laser. The experiment was conducted on a pilot-plant scale. A total laser power of 1.6 W was generated by external-cavity diode lasers with all the laser wavelengths fixed at the peak of an absorption line of {sup 16}O{sup 16}O{sup 17}O around 1 {mu}m. The beams were introduced into a 25 -m long photoreaction cell under the sealed-off condition with a total pressure of 20 kPa. Lower cell temperature reduced the background decomposition of ozone, and at the temperature of 158 K, an {sup 17}O enrichment factor of 2.2 was attained.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Compositional analysis of organosolv poplar lignin by using high-performance liquid chromatography/high-resolution multi-stage tandem mass spectrometry

Organosolv treatment is an efficient and environmentally friendly process to degrade lignin into small compounds. The capability of characterizing the individual compounds in the complex mixtures formed upon organosolv treatment is essential for the optimization of the further lignin conversion processes and for the rational genetic engineering of plants used to produce lignin in order to improve lignin properties. In this study, an organosolv poplar lignin sample was initially analyzed by high-resolution mass spectrometry coupled with negative-ion mode electrospray ionization ((-)ESI HRMS). Lignin monomers and dimers were found to constitute the majority of the compounds in the organosolv lignin sample. Larger lignin oligomers, such as trimers and tetramers, and some not lignin-related compounds, were also detected. A high-performance liquid chromatograph/linear quadrupole ion trap/orbitrap mass spectrometer capable of multi-stage high-resolution tandem mass spectrometry experiments (HRMS n ), equipped with an (-)ESI source (HPLC/(-)ESI HRMS n ), was employed to separate the unknown compounds in the organosolv mixture and to obtain structural information for the deprotonated compounds via collision-activated dissociation (CAD) HRMS n experiments. To improve the understanding of the CAD behavior of deprotonated lignin-related compounds, 16 deprotonated model compounds with different functionalities and linkage types were examined. This approach enabled the assignment of likely structures for several lignin monomers, dimers, trimers, and tetramers, and some not lignin-related compounds, most likely fatty acids. Based on the proposed structures, compounds in the organosolv lignin sample contain β-O-4, 5–5, β-5, and possibly also 4-O-5 linkages. Most compounds contain G- and S-monomeric units although a small amount of H-units were also detected.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

High temperature kinetic study of the reactions H + O2 = OH + O and O + H2 = OH + H in H2/O2 system by shock tube-laser absorption spectroscopy

The reactions: (1) H + O2 = OH + O; and (2) O + H2 = OH + H are the most important elementary reactions in gas phase combustion. They are the main chain-branching reaction in the oxidation of H2 and hydrocarbon fuels. In this study, rate coefficients of the reactions and have been measured over a wide range of composition, pressure, density and temperature behind the reflected shock waves. The experiments were performed using the shock tube - laser absorption spectroscopic technique to monitor OH radicals formed in the shock-heated H2/O2/Ar mixtures. The OH radicals were detected using the P(1)(5) line of (0,0) band of the A(exp 2) Sigma(+) from X(exp 2) Pi transition of OH at 310.023 nm (air). The data were analyzed with the aid of computer modeling. In the experiments great care was exercised to obtain high time resolution, linearity and signal-to-noise. The results are well represented by the Arrhenius expressions. The rate coefficient expression for reaction (1) obtained in this study is k(1) = (7.13 +/- 0.31) x 10(exp 13) exp(-6957+/- 30 K/T) cu cm/mol/s (1050 K less than or equal to T less than or equal to 2500 K) and a consensus expression for k(1) from a critical review of the most recent evaluations of k(1) (including our own) is k(1) = 7.82 x 10(exp 13) exp(-7105 K/T) cu cm/mol/s (960 K less than or equal to T less than or equal to 5300 K). The rate coefficient expression of k(2) is given by k(2) = (1.88 +/- 0.07) x 10(exp 14) exp(-6897 +/- 53 K/T) cu cm/mol/s (1424 K less than or equal to T less than or equal to 2427 K). For k(1), the temperature dependent A-factor and the correlation between the values of k(1) and the inverse reactant densities were not found. In the temperature range of this study, non-Arrhenius expression of k(2) which shows the upward curvature was not supported.

Ryu, Si-Ok↗