Combined Experimental and Theoretical Investigation of the Reactivity of CH3O2 and C2H5O2 PDF Download
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Author: Eszter Pongráczné Faragó
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Peroxy radicals are key intermediates in atmospheric chemistry. Their reaction schemas are different depending if they are formed in a polluted environment (high NOx concentration) or in a clean environment (low NOx concentration). This thesis deals with the reaction between peroxy radicals and OH radicals in order to better understand the reaction scheme in clean environments (above the oceans or tropical forest). Kinetic studies were carried out using laser photolysis coupled to detection of radical species by laser induced fluorescence technique (LIF, for OH), and continuous wave- cavity ring-down spectroscopy (cw-CRDS, for peroxy radicals). Moreover, the reaction mechanisms of these reactions were determined by quantum chemical methods, such as Gaussian-4 (G4), complete basis set model (CBS) and CHEAT1. Two systems were studied with the above mentioned techniques: CH3O2 + OH and C2H5O2 + OH. The rate constant and reaction mechanism of both reactions were determined for the first time. In addition, the cw-CRDS technique was applied to measure the absorption spectrum of the CH3O2 and CH3I in the near infrared region and to determine the absorption cross sections of a few selected lines of the methyl peroxy radical. Furthermore, a method test was carried out, which ensured the appropriate quantum chemical method for these radical-radical reactions.
Author: Eszter Pongráczné Faragó
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
Peroxy radicals are key intermediates in atmospheric chemistry. Their reaction schemas are different depending if they are formed in a polluted environment (high NOx concentration) or in a clean environment (low NOx concentration). This thesis deals with the reaction between peroxy radicals and OH radicals in order to better understand the reaction scheme in clean environments (above the oceans or tropical forest). Kinetic studies were carried out using laser photolysis coupled to detection of radical species by laser induced fluorescence technique (LIF, for OH), and continuous wave- cavity ring-down spectroscopy (cw-CRDS, for peroxy radicals). Moreover, the reaction mechanisms of these reactions were determined by quantum chemical methods, such as Gaussian-4 (G4), complete basis set model (CBS) and CHEAT1. Two systems were studied with the above mentioned techniques: CH3O2 + OH and C2H5O2 + OH. The rate constant and reaction mechanism of both reactions were determined for the first time. In addition, the cw-CRDS technique was applied to measure the absorption spectrum of the CH3O2 and CH3I in the near infrared region and to determine the absorption cross sections of a few selected lines of the methyl peroxy radical. Furthermore, a method test was carried out, which ensured the appropriate quantum chemical method for these radical-radical reactions.
Author: Jack G Calvert
Publisher: Oxford University Press
ISBN: 0199710880
Category : Science
Languages : en
Pages : 1005
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Book Description
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.
Author: Ricardo Amils
Publisher: Springer
ISBN: 9783642278334
Category : Science
Languages : en
Pages : 1853
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Book Description
The interdisciplinary field of Astrobiology constitutes a joint arena where provocative discoveries are coalescing concerning, e.g. the prevalence of exoplanets, the diversity and hardiness of life, and its increasingly likely chances for its emergence. Biologists, astrophysicists, biochemists, geoscientists and space scientists share this exciting mission of revealing the origin and commonality of life in the Universe. The members of the different disciplines are used to their own terminology and technical language. In the interdisciplinary environment many terms either have redundant meanings or are completely unfamiliar to members of other disciplines. The Encyclopedia of Astrobiology serves as the key to a common understanding. Each new or experienced researcher and graduate student in adjacent fields of astrobiology will appreciate this reference work in the quest to understand the big picture. The carefully selected group of active researchers contributing to this work and the expert field editors intend for their contributions, from an internationally comprehensive perspective, to accelerate the interdisciplinary advance of astrobiology.
Author: Yu-Ran Luo
Publisher: CRC Press
ISBN: 1420007289
Category : Medical
Languages : en
Pages : 1685
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Book Description
Understanding the energy it takes to build or break chemical bonds is essential for scientists and engineers in a wide range of innovative fields, including catalysis, nanomaterials, bioengineering, environmental chemistry, and space science. Reflecting the frequent additions and updates of bond dissociation energy (BDE) data throughout the literat
Author: A. C. Knipe
Publisher: John Wiley & Sons
ISBN: 047009401X
Category : Science
Languages : en
Pages : 816
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Book Description
35th volume in this highly successful series, Organic Reaction Mechanisms A guide to the most recent developments in organic chemistry Excellent references - Author and subject references Well respected editors with many years experience in the field
Author:
Publisher:
ISBN:
Category : Dissertations, Academic
Languages : en
Pages : 536
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Book Description
Theses on any subject submitted by the academic libraries in the UK and Ireland.
Author: Marc Robert
Publisher: Royal Society of Chemistry
ISBN: 1788015460
Category : Science
Languages : en
Pages : 461
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Book Description
Homogeneous and Heterogeneous Catalysis
Author:
Publisher:
ISBN:
Category : Nuclear energy
Languages : en
Pages : 1070
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Book Description
Author: Anatolii D. Pomogailo
Publisher: Springer Science & Business Media
ISBN: 3642105742
Category : Technology & Engineering
Languages : en
Pages : 311
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Book Description
Data on the synthesis and physicochemical studies of salts of mono- or dibasic unsaturated carboxylic acids and macromolecular metal carboxylates are generalised and described systematically in this monograph. The structures and properties of the COO group in various compounds and characteristic features of the structures of carboxylate are analysed. The main routes and kinetics of polymerisation transformations of unsaturated metal carboxylates are considered. The attention is focused on the effect of the metal ion on the monomer reactivity and the polymer morphology and structure. The possibility of stereochemical control of radical polymerisation of unsaturated metal carboxylates is demonstrated. The electronic, magnetic, optical, absorption and thermal properties of metal (co)polymers and nanocomposites and their main applications are also considered.
Author: S. Paddison
Publisher: The Electrochemical Society
ISBN: 1607686511
Category : Science
Languages : en
Pages : 49
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Book Description
