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Experimental Determination Of Rate Constants For Reactions Of The Hydroxyl Radical With Alkanes And Alcohols
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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 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 Protocol for Determining Hydroxyl Radical Reaction Rate Constants by : James N. Pitts
Download or read book Experimental Protocol for Determining Hydroxyl Radical Reaction Rate Constants written by James N. Pitts and published by . This book was released on 1982 with total page 3 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Experimental and Theoretical Determination of the Temperature Dependent Rate Constant for the Reaction of Hydroxyl Radicals with Some Volatile Organic Compounds by : Paul E. Carey (Jr.)
Download or read book Experimental and Theoretical Determination of the Temperature Dependent Rate Constant for the Reaction of Hydroxyl Radicals with Some Volatile Organic Compounds written by Paul E. Carey (Jr.) and published by . This book was released on 2015 with total page 154 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Experimental Protocol for Determining Hydroxyl Radical Reaction Rate Constants for Organic Compounds by : James N. Pitts
Download or read book Experimental Protocol for Determining Hydroxyl Radical Reaction Rate Constants for Organic Compounds written by James N. Pitts and published by . This book was released on 1985 with total page 3 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 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 12 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 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 Mechanisms of Atmospheric Oxidation of the Alkanes by : Jack G Calvert
Download or read book Mechanisms of Atmospheric Oxidation of the Alkanes written by Jack G Calvert and published by Oxford University Press. This book was released on 2008-09-15 with total page 1005 pages. Available in PDF, EPUB and Kindle. Book excerpt: An international team of eminent atmospheric scientists have prepared Mechanisms of Atmospheric Oxidation of the Alkanes as an authoritative source of information on the role of alkanes in the chemistry of the atmosphere. The book includes the properties of the alkanes and haloalkanes, as well as a comprehensive review and evaluation of the existing literature on the atmospheric chemistry of the alkanes and their major atmospheric oxidation products, and the various approaches now used to model the alkane atmospheric chemistry. Comprehensive coverage is given of both the unsubstituted alkanes and the many haloalkanes. All the existing quality measurements of the rate coefficients for the reactions of OH, Cl, O(3P), NO3, and O3 with the alkanes, the haloalkanes, and their major oxidation products have been reviewed and evaluated. The expert authors then give recommendations of the most reliable kinetic data. They also review the extensive literature on the mechanisms and rates and modes of photodecomposition of the haloalkanes and the products of atmospheric oxidation of the alkanes and the haloalkanes, and make recommendations for future use by atmospheric scientists. The evaluations presented allow an extrapolation of the existing kinetic and photochemical data to those alkanes and haloalkanes that are as yet unstudied. The current book should be of special interest and value to the modelers of atmospheric chemistry as a useful input for development of realistic modules designed to simulate the atmospheric chemistry of the alkanes, their major oxidation products, and their influence on ozone and other trace gases within the troposphere.
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 Chemistry of the Upper and Lower Atmosphere by : Barbara J. Finlayson-Pitts
Download or read book Chemistry of the Upper and Lower Atmosphere written by Barbara J. Finlayson-Pitts and published by Elsevier. This book was released on 1999-11-17 with total page 993 pages. Available in PDF, EPUB and Kindle. Book excerpt: Here is the most comprehensive and up-to-date treatment of one of the hottest areas of chemical research. The treatment of fundamental kinetics and photochemistry will be highly useful to chemistry students and their instructors at the graduate level, as well as postdoctoral fellows entering this new, exciting, and well-funded field with a Ph.D. in a related discipline (e.g., analytical, organic, or physical chemistry, chemical physics, etc.). Chemistry of the Upper and Lower Atmosphere provides postgraduate researchers and teachers with a uniquely detailed, comprehensive, and authoritative resource. The text bridges the "gap" between the fundamental chemistry of the earth's atmosphere and "real world" examples of its application to the development of sound scientific risk assessments and associated risk management control strategies for both tropospheric and stratospheric pollutants. Serves as a graduate textbook and "must have" reference for all atmospheric scientists Provides more than 5000 references to the literature through the end of 1998 Presents tables of new actinic flux data for the troposphere and stratospher (0-40km) Summarizes kinetic and photochemical date for the troposphere and stratosphere Features problems at the end of most chapters to enhance the book's use in teaching Includes applications of the OZIPR box model with comprehensive chemistry for student use
Book Synopsis Kinetics and Mechanisms of the Gas-phase Reactions of the Hydroxyl Radical with Organic Compounds by : Roger Atkinson
Download or read book Kinetics and Mechanisms of the Gas-phase Reactions of the Hydroxyl Radical with Organic Compounds written by Roger Atkinson and published by American Institute of Physics. This book was released on 1989 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Organic Reaction Mechanisms 1986 by : A. C. Knipe
Download or read book Organic Reaction Mechanisms 1986 written by A. C. Knipe and published by John Wiley & Sons. This book was released on 2008-04-30 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: The only book series to summarize the latest progress on organic reaction mechanisms, Organic Reaction Mechanisms, 1986 surveys the development in understanding of the main classes of organic reaction mechanisms reported in the primary scientific literature in 1986. The 22nd annual volume in this highly successful series highlights mechanisms of stereo-specific reactions. Reviews are compiled by a team of experienced editors and authors, allowing advanced undergraduates, graduate students, postdocs, and chemists to rely on the volume's continuing quality of selection and presentation.
Book Synopsis Relative Rate Constants For Reactions of Hydroxyl Radicals From the Reaction of Fe(Ii) Or Ti(Iii) With by : Defence Research Establishment Ottawa
Download or read book Relative Rate Constants For Reactions of Hydroxyl Radicals From the Reaction of Fe(Ii) Or Ti(Iii) With written by Defence Research Establishment Ottawa and published by . This book was released on 1969 with total page 35 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:
Book Synopsis Experimental Investigation of the Atmospheric Chemistry of Aromatic Hydrocarbons and Long-chain Alkanes by : Roger Atkinson
Download or read book Experimental Investigation of the Atmospheric Chemistry of Aromatic Hydrocarbons and Long-chain Alkanes written by Roger Atkinson and published by . This book was released on 1994 with total page 112 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Hydroxyl Radical Reaction Rate Constant and Products of Cyclohexanol by :
Download or read book The Hydroxyl Radical Reaction Rate Constant and Products of Cyclohexanol written by and published by . This book was released on 2007 with total page 12 pages. Available in PDF, EPUB and Kindle. Book excerpt: The gas phase reaction of the hydroxyl radical (OH) with cyclohexanol (COL) has been studied. The rate coefficient was determined to be (19.0 + or - 4.8) x 10 (exp -12) cu cm/molecule/s (at 297 + or - 3 K and 1 atmosphere total pressure) using the relative rate technique with pentanal, decane, and tridecane as the reference compounds. Assuming an average OH concentration of 1 x 10 exp 6) molecules/cu cm, an atmospheric lifetime of 15 h is calculated for cyclohexanol. Products of the OH + COL reaction were determined to more clearly define COL's atmospheric degradation mechanism. The observed products and their formation yields were: cyclohexanone (0.55 + or - 0.06), hexanedial (0.32 + or - 0.15), 3-hydroxycyclohexanone (0.31 + or - 0.14), and 4-hydroxycyclohexanone (0.08 + or - 0.04). Consideration of the potential reaction pathways suggests that each of these products is formed via hydrogen abstraction at a different site on the COL ring. The products and their relative amounts are discussed in light of the predicted yields for each reaction channel.
