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The Measurement Of The Rates Of Hydroxyl Radical Reactions And The Prediction Of Rate Constants In Alcohol Combustion
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Book Synopsis The Measurement of the Rates of Hydroxyl Radical Reactions and the Prediction of Rate Constants in Alcohol Combustion by : Paul Graham Greenhill
Download or read book The Measurement of the Rates of Hydroxyl Radical Reactions and the Prediction of Rate Constants in Alcohol Combustion written by Paul Graham Greenhill and published by . This book was released on 1986 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Experimental Determination of Rate Constants for Reactions of the Hydroxyl Radical with Alkanes and Alcohols by : Genny Anne Pang
Download or read book Experimental Determination of Rate Constants for Reactions of the Hydroxyl Radical with Alkanes and Alcohols written by Genny Anne Pang and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Over one quarter of the energy usage in the United States currently occurs in the transportation sector. Improvements in energy conversion efficiency and sustainability in transportation applications, therefore, can substantially contribute to improved energy security in our future. The design of advanced high-efficiency energy conversion devices for transportation applications can be facilitated with complex computer models of combustion processes. The development of these models requires a large experimental database to ensure accuracy of the computational predictions. This thesis discusses how experimental studies are utilized to create a database of rate constants for elementary reactions; these rate constants are integral components of any computational model of combustion chemistry. During a combustion process, the reaction of the hydroxyl (OH) radical, a highly reactive chemical intermediate, with a combustible fuel molecule is a major fuel consumption pathway under many combustion conditions. Thus, the rate constants for these types of reactions must be accurately known to develop a computational model that correctly describes the combustion chemistry. This thesis presents an experimental method for measuring rate constants in the reaction family of OH + Fuel -> Products using a shock tube reactor, laser diagnostics, and tert-butylhydroperoxide (TBHP) as an OH radical precursor. Important rate constant parameters describing subsequent reactions of TBHP decomposition are also studied. Current transportation fuels of interest in the combustion community include molecules in the alkane and butanol classes. Alkane molecules are a major component of many petroleum-derived fuels such as gasoline and jet fuel. Isomers of the butanol molecule are gaining popularity as a potential renewable alternative to gasoline because of their high energy density and the many known methods of production from biomass and agricultural byproducts. The rate constant measurement method is applied to the reaction of OH with three alkane molecules (n-pentane, n-heptane, and n-nonane) and four isomers of butanol (n-butanol, iso-butanol, sec-butanol, tert-butanol), and the results are reported in this thesis. Comparison of the rate constant results to estimation methods in the literature are presented, and, for several of the isomers of butanol studied, the measured data are also used to validate and/or suggest refinements to existing detailed kinetic mechanisms.
Book Synopsis Activation Energies for Reactions of Hydroxyl Radicals with Hydrogen and Carbon Monoxide by : Edgar L. Wong
Download or read book Activation Energies for Reactions of Hydroxyl Radicals with Hydrogen and Carbon Monoxide written by Edgar L. Wong and published by . This book was released on 1970 with total page 28 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Hydroxyl Radical Reaction Rate Constant and Atmospheric Transformation Products of 2-Butanol and 2-Pentanol by :
Download or read book The Hydroxyl Radical Reaction Rate Constant and Atmospheric Transformation Products of 2-Butanol and 2-Pentanol written by and published by . This book was released on 1998 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The relative rate technique has been used to measure the hydroxyl radical (OH) reaction rate constant to +2-butanol (2BU, CH3CH2CHOHch3 and 2-pentanol (2PE, CH3CH2CH2CHOHch3. 2BU and 2PE react with OH yielding bimolecular rate constants of (8.1 +/- 2.0) x 10(exp -12 cm3/molecule/s and (11.9 +/- 3.0) x 10(exp-12) cm3/molecule/s, respectively, at 297 +/- 3 K and 1 atmosphere total pressure. Both 2BU and 2PE OH rate constants reported here are in agreement with previously reported values. In order to more clearly define these alcohols' atmospheric reaction mechanisms, an investigation into the OH + alcohol reaction products was also conducted. The OH + 2BU reaction products and yields observed were: methyl ethyl ketone (MEK, 60 +/- 2%, CH3CH2C(=O)CH3 and acetaldehyde (29 +/- 4%, HC(=O)CH3. The OH + 2PE reaction products and yields observed were: 2-pentanone (2PO, 4 +/- 4%, CH3C(=O)CH2CH2CH3, propionaldehyde (14 +/- 2%, HC(=O)CH2CH3, and acetaldehyde 40 +/- 4%, HC(=O)CH3. The alcohols' reaction mechanisms are discussed in light of current understanding of oxygenated hydrocarbon atmospheric chemistry. Labeled (O-18) 2BU/OH reactions were conducted to investigate 2BUs atmospheric transformation mechanism details. The findings reported here can be related to other structurally similar alcohols and may impact regulatory tools such as ground level ozone-forming potential calculations (incremental reactivity).
Book Synopsis Comparisons of Experimental Hydroxyl Radical Profiles with Kinetic Calculations in a Supersonic Nozzle by : Erwin A. Lezberg
Download or read book Comparisons of Experimental Hydroxyl Radical Profiles with Kinetic Calculations in a Supersonic Nozzle written by Erwin A. Lezberg and published by . This book was released on 1965 with total page 34 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Measuring Rate Constants and Product Branching for Reactions Relevant to Combustion and Atmospheric Chemistry by : Zachary James Buras
Download or read book Measuring Rate Constants and Product Branching for Reactions Relevant to Combustion and Atmospheric Chemistry written by Zachary James Buras and published by . This book was released on 2018 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last century there have been countless experimental measurements of the overall reaction kinetics of gas-phase radicals, often with the aid of lasers. In more recent decades, ab initio predictions of product branching using quantum chemical calculations combined with modem rate theories have become common. However, there are few experimental measurements against which to validate predicted product branching, even for an important reaction system such as hydroxyl radical addition to acetylene that is critical to oxidation chemistry both in the atmosphere and in combustion. As a result, many of the kinetic parameters that appear in commonly used combustion mechanisms are based purely on predictions. The few experiments that do attempt to quantify product branching generally fall into two categories, each with unique advantages/disadvantages: crossed molecular beams (CMB) that simulate single collision conditions, or end-product analysis of a complex, thermalized process, such as pyrolysis. Laser flash photolysis (LFP) with molecular beam mass spectrometry (MBMS) offers a compromise between CMB and end-product experiments: the reaction conditions are thermalized but still simple enough that primary products can be quantified with confidence. This thesis describes a unique apparatus, and the improvements made to it, that combines LFP and MBMS for primary product branching quantification, as well as multiple-pass laser absorbance spectrometry (LAS) for accurate measurements of overall kinetics. The full capability of this LFP/MBMS/LAS apparatus is demonstrated for the chemically interesting phenyl radical + propene reaction system, which has been implicated as a potential source of second aromatic ring formation under combustion conditions. Overall kinetic measurements are also reported in this work either for systems that involve a newly discovered reactive species (various cycloaddition reactions of the simplest Criegee Intermediate formed in atmospheric ozonolysis) or that was disputed in the literature (vinyl radical + 1,3-butadiene, which has been implicated as a potential source of benzene in combustion). Finally, this thesis shows how detailed chemical insights made either experimentally or theoretically can be translated into applications via the Reaction Mechanism Generator (R4G). The application discussed is natural gas high temperature pyrolysis for the production of C2 commodity chemicals.
Book Synopsis Rate Constants of Hydroxyl Radical Reactions with Cyclic Parafins by : Yoshinobu Yamada
Download or read book Rate Constants of Hydroxyl Radical Reactions with Cyclic Parafins written by Yoshinobu Yamada and published by . This book was released on 1974 with total page 106 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Research Report by : University of Tasmania
Download or read book Research Report written by University of Tasmania and published by . This book was released on 1984 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis A Shock Tube Study of the Reactions of the Hydroxyl Radical with Combustion Species and Pollutants by :
Download or read book A Shock Tube Study of the Reactions of the Hydroxyl Radical with Combustion Species and Pollutants written by and published by . This book was released on 1992 with total page 10 pages. Available in PDF, EPUB and Kindle. Book excerpt: To extend the database of reliable high temperature measurements of OH radicals with hydrocarbons and other fuels and their decomposition products, we undertook, a research program with both experimental and computational tasks. The experimental goal was to design a procedure for measuring, at combustion temperatures, the reaction rate coefficients of OH radicals with fuels and other species of importance in combustion or propulsion systems. The computational effort was intended to refine the semi-empirical thermochemical kinetics/ transition-state-theory (TK-TST) procedures for extrapolating rate coefficients of reactions of OH with combustion species of interest, for predicting rate coefficients for species not studied in the laboratory, and to examine the ability of the theory to predict rate coefficients for different pathways in cases where the reagent possessed nonequivalent H atoms.
Book Synopsis A Shock Tube Study of the Reactions of the Hydroxyl Radical with Combustion Species and Pollutants. Progress Report by :
Download or read book A Shock Tube Study of the Reactions of the Hydroxyl Radical with Combustion Species and Pollutants. Progress Report written by and published by . This book was released on 1992 with total page 10 pages. Available in PDF, EPUB and Kindle. Book excerpt: To extend the database of reliable high temperature measurements of OH radicals with hydrocarbons and other fuels and their decomposition products, we undertook, a research program with both experimental and computational tasks. The experimental goal was to design a procedure for measuring, at combustion temperatures, the reaction rate coefficients of OH radicals with fuels and other species of importance in combustion or propulsion systems. The computational effort was intended to refine the semi-empirical thermochemical kinetics/ transition-state-theory (TK-TST) procedures for extrapolating rate coefficients of reactions of OH with combustion species of interest, for predicting rate coefficients for species not studied in the laboratory, and to examine the ability of the theory to predict rate coefficients for different pathways in cases where the reagent possessed nonequivalent H atoms.
Book Synopsis Rate Constants for the Gas-phase Reactions of the Hydroxyl Radical with Isoprene, Α- and Β-pinene, and Limonene as a Function of Temperature by : Katherine Josephine Gill
Download or read book Rate Constants for the Gas-phase Reactions of the Hydroxyl Radical with Isoprene, Α- and Β-pinene, and Limonene as a Function of Temperature written by Katherine Josephine Gill and published by . This book was released on 2001 with total page 158 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Publications of the National Institute of Standards and Technology ... Catalog by : National Institute of Standards and Technology (U.S.)
Download or read book Publications of the National Institute of Standards and Technology ... Catalog written by National Institute of Standards and Technology (U.S.) and published by . This book was released on 1994 with total page 1162 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1986 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1992 with total page 1572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Union List of Higher Degree Theses in Australian Libraries by :
Download or read book Union List of Higher Degree Theses in Australian Libraries written by and published by . This book was released on 1987 with total page 734 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Reactivity of the Hydroxyl Radical in Aqueous Solutions by : Leon M. Dorfman
Download or read book Reactivity of the Hydroxyl Radical in Aqueous Solutions written by Leon M. Dorfman and published by . This book was released on 1973 with total page 74 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Rate constants for reactions of hydroxyl radicals as a function of temperature by : A. J. Elliot
Download or read book Rate constants for reactions of hydroxyl radicals as a function of temperature written by A. J. Elliot and published by . This book was released on 1984 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
