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The Hydroxyl Radical Reaction Rate Constant And Products Of Cyclohexanol
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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.
Book Synopsis The Hydroxyl Radical Reaction Rate Constant and Products of Dimethyl Succinate by :
Download or read book The Hydroxyl Radical Reaction Rate Constant and Products of Dimethyl Succinate written by and published by . This book was released on 2008 with total page 32 pages. Available in PDF, EPUB and Kindle. Book excerpt: The relative rate technique has been used to examine the kinetics for the reaction of the hydroxyl radical (OH) with dimethyl succinate (DMS, CH3OC(=O)CH2CH2C(=O)OCH3). The measured rate constant for OH + DMS was 1.5 +/- 0.4 x 10(exp -12) cc/molecule/s at 297 +/- 3 deg K and 1 atmosphere total pressure. This is in agreement with the predicted value of 1.15 x 10(exp -12) cc/molecule/s determined by structure activity relationships. To more clearly define DMS's atmospheric degradation mechanism, the products of the OH + DMS reaction were also investigated. The only primary product detected was mono methyl succinate (MMS, CH3OC(=O)CH2CH2C(=O)OH)) at a yield of only 2.17 +/- 0.25%. Extensive efforts were used to identify other primary products but none were measured. Formic acid (HC(=O)OH); however, was observed as a secondary product being formed at a rate of (4.6 +/- 1.3) x 10(exp 14) molecules/second, 60 minutes after initiating the OH + DMS reaction. Formic acid is believed to be a degradation product of the primary product, methyl glyoxylate (MG, CH3OC(=O)C(=O)H). Product formation pathways are discussed in light of current understanding of the atmospheric chemistry of oxygenated organic compounds.
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 Mechanisms of Atmospheric Oxidation of the Oxygenates by : Jack Calvert
Download or read book Mechanisms of Atmospheric Oxidation of the Oxygenates written by Jack Calvert and published by OUP USA. This book was released on 2011-09-29 with total page 1634 pages. Available in PDF, EPUB and Kindle. Book excerpt: Prepared by an international team of eminent atmospheric scientists, Mechanisms of Atmospheric Oxidation of the Oxygenates is an authoritative source of information on the role of oxygenates in the chemistry of the atmosphere. The oxygenates, including the many different alcohols, ethers, aldehydes, ketones, acids, esters, and nitrogen-atom containing oxygenates, are of special interest today due to their increased use as alternative fuels and fuel additives. This book describes the physical properties of oxygenates, as well as the chemical and photochemical parameters that determine their reaction pathways in the atmosphere. Quantitative descriptions of the pathways of the oxygenates from release or formation in the atmosphere to final products are provided, as is a comprehensive review and evaluation of the extensive kinetic literature on the atmospheric chemistry of the different oxygenates and their many halogen-atom substituted analogues. This book will be of interest to modelers of atmospheric chemistry, environmental scientists and engineers, and air quality planning agencies as a useful input for development of realistic modules designed to simulate the atmospheric chemistry of the oxygenates, their major oxidation products, and their influence on ozone and other trace gases within the troposhere.
Book Synopsis Atmospheric Degradation of Organic Substances by : Walter Klöpffer
Download or read book Atmospheric Degradation of Organic Substances written by Walter Klöpffer and published by John Wiley & Sons. This book was released on 2008-01-08 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: This compilation on the degradation of 1,100 commercially important chemical products is the first publication to make this knowledge publicly accessible in one book. The data and annotations have been painstakingly assembled over a 10-year period in a collaboration between academia and regulatory authorities. The work explains in detail the methods, including computational ones, for the environmental assessment of volatile and semi-volatile substances, and is rounded off with data tables of degradation rates. A key resource for manufacturers and regulators of such substances.
Book Synopsis Kinetics and Products of the Reactions of Hydroxyl Radicals with Selected Volatile Organic Compounds, Including Oxygenated Compounds by : Heidi Lynn Bethel
Download or read book Kinetics and Products of the Reactions of Hydroxyl Radicals with Selected Volatile Organic Compounds, Including Oxygenated Compounds written by Heidi Lynn Bethel and published by . This book was released on 2002 with total page 414 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 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 Chemical and Biological Sensing by :
Download or read book Chemical and Biological Sensing written by and published by . This book was released on 2000 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Tropospheric Chemistry of Terpenes and Their Reaction Products by : Alvaro Alvarado
Download or read book Tropospheric Chemistry of Terpenes and Their Reaction Products written by Alvaro Alvarado and published by . This book was released on 1998 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Progress in Reaction Kinetics by : G. Porter
Download or read book Progress in Reaction Kinetics written by G. Porter and published by Elsevier. This book was released on 2013-09-11 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in Reaction Kinetics, Volume 3 presents articles about advances in reaction kinetics. The book begins with a theoretical review of bimolecular reactions, such as the relation between free energy and potential energy surfaces. The text describes reactions of hydrogen atoms in the gas phase; the hot atom chemistry of gas-phase systems; the inhibition of gaseous free radical chain reactions; and vibrational relaxation in gases. Articles about pulse radiolysis; the effects of dose-rate and linear energy transfer in radiation chemistry; and the electronic spectra and kinetics of aromatic free radicals are also considered. The book further tackles the kinetics of polymerization of vinyl monomers by lithium alkyls as well as radical polymerization in solutions. Chemists and professionals dealing with radiation, physical, and industrial chemistry will find the book invaluable.
Book Synopsis The Radiation Chemistry of Macromolecules by : Malcolm Dole
Download or read book The Radiation Chemistry of Macromolecules written by Malcolm Dole and published by Elsevier. This book was released on 2013-10-22 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Radiation Chemistry of Macromolecules, Volume II is a collection of papers that discusses radiation chemistry of specific systems. Part 1 deals with radiation chemistry of substituted vinyl polymers, particularly polypropylene (PP) as its structure is intermediate between polyethylene and polyisobutylene. This part also discusses polypropylene oxide (PPOx) for it can be prepared in the atactic, isotactic, and optically active forms. One paper focuses on the fundamental chemical processes and the changes in physical properties that give rise to many different applications of polystyrene. Another paper analyzes poly(methyl methacrylate) and poly(isobutylene)—two important polymers of nongelling substances subject to radiation. Part 2 describes the radiation chemistry of some miscellaneous polymers including the formation of free radicals and their termination. One paper also considers the radiation chemistry of polytetrafluoroethyle (PTFE), which is widely used in industry. Part 3 discusses the effect of radiation on oxidation, mechanical properties, and physical state of polymers. Part 4 addresses macromolecules, particularly the radiation chemistry of biopolymers because of their role in radiation chemistry. The damage done to biopolymers through radiation can affect the responses of living organisms to ionizing radiation. This book can prove valuable to scientists and researchers in the fields of nuclear biology, nuclear science, microchemistry, and cellular biology.
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1973 with total page 1028 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Reagents for Radical and Radical Ion Chemistry by : David Crich
Download or read book Reagents for Radical and Radical Ion Chemistry written by David Crich and published by John Wiley & Sons. This book was released on 2013-05-30 with total page 1874 pages. Available in PDF, EPUB and Kindle. Book excerpt: Radicals and radical ions are important intermediates with wide use in organic synthesis. The first book to concentrate on reagents for the creation and use of radicals and radical ions, this new volume in the Handbooks of Reagents for Organic Synthesis series compiles articles taken from the e-eros database, on reagents for use in radical and radical chemistry, to help the chemist in the lab choose the right reagents. Reflecting the enormous growth of radical chemistry over the past ten years, this is an essential guide for all synthetic chemists.
Book Synopsis Product Studies of the Atmospherically-important Reactions of Alkenes and Aromatic Hydrocarbons by : Roger Atkinson
Download or read book Product Studies of the Atmospherically-important Reactions of Alkenes and Aromatic Hydrocarbons written by Roger Atkinson and published by . This book was released on 1997 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1972-04 with total page 1068 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 by :
Download or read book A Shock Tube Study of the Reactions of the Hydroxyl Radical with Combustion Species written by and published by . This book was released on 1991 with total page 5 pages. Available in PDF, EPUB and Kindle. Book excerpt: The reactions of OH radicals with hydrocarbons have received a great deal of attention in recent years because of these processes are principal steps in the oxidation of organic fuels -- whether occurring in combustion/propulsion systems, in the atmosphere, or elsewhere. Of the various radicals capable of attacking hydrocarbons, OH radicals are generally the most reactive, and their reactions directly yield water molecules, one of the major final oxidation products. In the atmosphere, the combined effect of the OH radical's reactivity and concentration make it the single species that determines the atmospheric lifetime of an organic substance. The principal goals of the kineticist in the field of oxidation chemistry are (1) to measure as many elementary reaction rate coefficients as are conveniently studied in the laboratory; and (2) to develop theoretical and/or semiempirical tools for extrapolating from measured rate coefficients to unmeasured ones. The latter step is necessary because of the sheer number of reactions of possible interest.
