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Experimental And Theoretical Determination Of The Temperature Dependent Rate Constant For The Reaction Of Hydroxyl Radicals With Some Volatile Organic Compounds
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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 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 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 Atmospheric and Aerosol Chemistry by : V. Faye McNeill
Download or read book Atmospheric and Aerosol Chemistry written by V. Faye McNeill and published by Springer. This book was released on 2014-07-08 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt: Christian George, Barbara D’Anna, Hartmut Herrmann, Christian Weller, Veronica Vaida, D. J. Donaldson, Thorsten Bartels-Rausch, Markus Ammann - Emerging Areas in Atmospheric Photochemistry. Lisa Whalley, Daniel Stone, Dwayne Heard - New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory. Neil M. Donahue, Allen L. Robinson, Erica R. Trump, Ilona Riipinen, Jesse H. Kroll - Volatility and Aging of Atmospheric Organic Aerosol. P. A. Ariya, G. Kos, R. Mortazavi, E. D. Hudson, V. Kanthasamy, N. Eltouny, J. Sun, C. Wilde - Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization. V. Faye McNeill, Neha Sareen, Allison N. Schwier - Surface-Active Organics in Atmospheric Aerosols.
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 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 Environmental Simulation Chambers: Application to Atmospheric Chemical Processes by : Ian Barnes
Download or read book Environmental Simulation Chambers: Application to Atmospheric Chemical Processes written by Ian Barnes and published by Springer Science & Business Media. This book was released on 2006-01-13 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book gives in the first instance descriptions of different types of so-called environment chambers or photoreactors used mainly for the simulation and/or investigation of important chemical processes occurring in the atmosphere. The types of reactor described include outdoor and indoor chambers, temperature regulated chambers and glass and Teflon foil chambers The practical use of chambers is demonstrated in contributions by leading scientists in the field of atmospheric chemistry using, in many cases, current results. The types of atmospherically relevant investigations described include the measurement of reactivities, the measurement of radicals, the measurement of photolysis frequencies and products, kinetic and product studies on the oxidation of different types of hydrocarbons by important oxidant species (OH, N03, 03), formation of secondary organic aerosol from hydrocarbon oxidation etc. A special section includes contributions from eastern European countries which highlight some of the environmental research being performed in these countries. An abridged version of a specially commissioned review by the JRC Ispra on the status of environmental research in eastern European countries is also included in this section.
Book Synopsis Volatile Organic Compounds in the Atmosphere by : Ralf Koppmann
Download or read book Volatile Organic Compounds in the Atmosphere written by Ralf Koppmann and published by John Wiley & Sons. This book was released on 2008-04-15 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: Every day, large quantities of volatile organic compounds (VOCs) are emitted into the atmosphere from both anthropogenic and natural sources. The formation of gaseous and particulate secondary products caused by oxidation of VOCs is one of the largest unknowns in the quantitative prediction of the earth’s climate on a regional and global scale, and on the understanding of local air quality. To be able to model and control their impact, it is essential to understand the sources of VOCs, their distribution in the atmosphere and the chemical transformations which remove these compounds from the atmosphere. In recent years techniques for the analysis of organic compounds in the atmosphere have been developed to increase the spectrum of detectable compounds and their detection limits. New methods have been introduced to increase the time resolution of those measurements and to resolve more complex mixtures of organic compounds. Volatile Organic Compounds in the Atmosphere describes the current state of knowledge of the chemistry of VOCs as well as the methods and techniques to analyse gaseous and particulate organic compounds in the atmosphere. The aim is to provide an authoritative review to address the needs of both graduate students and active researchers in the field of atmospheric chemistry research.
Book Synopsis Reaction Rates of Semi-volatile Organic Compounds with the Hydroxyl Radical by : Philip Neal Anderson
Download or read book Reaction Rates of Semi-volatile Organic Compounds with the Hydroxyl Radical written by Philip Neal Anderson and published by . This book was released on 1995 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Experimental and Computational Studies of Hydroxyl Radical Kinetics at Very Low Temperatures by : Robin Joseph Shannon
Download or read book Experimental and Computational Studies of Hydroxyl Radical Kinetics at Very Low Temperatures written by Robin Joseph Shannon and published by . This book was released on 2012 with total page 285 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this thesis low temperature rate coefficients have been measured for a number of reactions involving the OH radical using a pulsed Laval nozzle apparatus. All these reactions exhibit an energy barrier between reactants and products and in each case this barrier is preceded by either a hydrogen bonded complex ( OH + acetone, OH + DME, OH + methanol) or a weaker Van der Walls complex (OH + acetylene, OH + ammonia). The rate coefficients for these reactions are observed to increase by up to three orders of magnitude between 200 K and 63 K and complimentary Master equation calculations are able to reproduce the complicated temperature dependences that these rate coefficients exhibit. From these master equation calculations, the negative temperature dependencies of the measured rate coefficients are attributed to a mechanism involving the prereaction complex, in most cases including a contribution from quantum mechanical tunnelling. This tunnelling contribution is most especially important in the case of OH + methanol and in this case, hydrogen abstraction products through a 15 kJ mol-1 barrier are observed directly at 79 K on the same timescale as OH loss. The association between an OH radical and its co-reagent to form a weakly bound adduct, is further explored through performing the first proxy method experiments below 200 K. The proxy method is designed to give the high pressure limiting rate coefficient for two associating reactants A and B through measuring the rate coefficients for the A(v=i ) + B reaction. The reactions listed above are revisited and OH vibrational levels up to v = 3 are probed. From these measurements, lower limits for the high pressure limiting rate coefficients of these reactions are obtained at 80 K and the validity of the proxy method is explored in each case.
Book Synopsis ERDA Energy Research Abstracts by : United States. Energy Research and Development Administration
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration and published by . This book was released on 1977 with total page 958 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ERDA Energy Research Abstracts written by and published by . This book was released on 1977 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Multiconfigurational Quantum Chemistry by : Björn O. Roos
Download or read book Multiconfigurational Quantum Chemistry written by Björn O. Roos and published by John Wiley & Sons. This book was released on 2016-08-08 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.
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 Oxidation of Amino Acids, Peptides, and Proteins by : Virender K. Sharma
Download or read book Oxidation of Amino Acids, Peptides, and Proteins written by Virender K. Sharma and published by John Wiley & Sons. This book was released on 2012-11-06 with total page 349 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explains the role of reactive intermediates in biological systems as well as in environmental remediation With its clear and systematic approach, this book examined the broad range of reactive intermediate that can be generated in biological environments, detailing the fundamental properties of each reactive intermediate. Readers gain a contemporary understanding of how these intermediates react with different compounds, with an emphasis on amino acids, peptides, and proteins. The author not only sets forth the basic chemistry and nature of reactive intermediates, he also demonstrates how the properties of the intermediates presented in the book compare with each other. Oxidation of Amino Acids, Peptides, and Proteins begins with a discussion of radical and non-radical reactive species as well as an exploration of the significance of reactive species in the atmosphere, disinfection processes, and environmental remediation. Next, the book covers such topics as: Thermodynamics of amino acids and reactive species and the effect of metal-ligand binding in oxidation chemistry Kinetics and mechanisms of reactive halogen, oxygen, nitrogen, carbon, sulfur and phosphate species as well as reactive high-valent Cr, Mn, and Fe species Reactivity of the species with molecules of biological and environmental importance Generation of reactive species in the laboratory for kinetics studies Oxidation of amino acids, peptides, and proteins by permanganate, ferryl, and ferrate species Application of reactive species in purifying water and treating wastewater With this book as their guide, readers will be able to assess the overall effects of reactive intermediates in biological environments. Moreover, they’ll learn how to apply this knowledge for successful water purification and wastewater treatment.
