Experimental and Theoretical Study of Atmospheric Free Radical Reactions PDF Download
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Author: Yong Liu
Publisher:
ISBN:
Category :
Languages : en
Pages : 404
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Book Description
Author: Yong Liu
Publisher:
ISBN:
Category :
Languages : en
Pages : 404
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Book Description
Author: Maria Teresa Raventos-Duran
Publisher:
ISBN:
Category :
Languages : en
Pages : 146
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Book Description
Author: Malcolm D. Forbes
Publisher: John Wiley & Sons
ISBN: 9780470584101
Category : Science
Languages : en
Pages : 300
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Book Description
Covers the most advanced computational and experimental methods for studying carbon-centered radical intermediates With its focus on the chemistry of carbon-centered radicals and radical cations, this book helps readers fully exploit the synthetic utility of these intermediates in order to prepare fine chemicals and pharmaceutical products. Moreover, it helps readers better understand their role in complex atmospheric reactions and biological systems. Thoroughly up to date, the book highlights the most advanced computational and experimental methods available for studying and using these critically important intermediates. Carbon-Centered Free Radicals and Radical Cations begins with a short history of the field of free radical chemistry, and then covers: A discussion of the relevant theory Mechanistic chemistry, with an emphasis on synthetic utility Molecular structure and mechanism, focusing on computational methods Spectroscopic investigations of radical structure and kinetics, including demonstrations of spin chemistry techniques such as CIDNP and magnetic field effects Free radical chemistry in macromolecules Each chapter, written by one or more leading experts, explains difficult concepts clearly and concisely, with references to facilitate further investigation of individual topics. The authors were selected in order to provide insight into a broad range of topics, including small molecule synthesis, polymer degradation, computational chemistry as well as highly detailed experimental work in the solid, liquid, and gaseous states. This volume is essential for students or researchers interested in building their understanding of the role of carbon-centered radical intermediates in complex systems and how they may be used to develop a broad range of useful products.
Author: Wai Kit Tang
Publisher:
ISBN:
Category : Free radical reactions
Languages : en
Pages : 207
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Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author: Barbara J. Finlayson-Pitts
Publisher: Wiley-Interscience
ISBN:
Category : Science
Languages : en
Pages : 1164
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Book Description
Provides comprehensive coverage of the new and emerging discipline of atmospheric chemistry. Starting with the fundamentals of kinetics and photochemistry, it shows how the experimental techniques in these areas are applied to the study and control of chemical reactions in the troposphere. Gives detailed analysis of such major societal issues as smog, acid rain and volatile toxic organics, and treats the seven criteria pollutants considered by the U.S. Environmental Protection Agency to be hazardous, as well as a variety of trace non-criteria pollutants, such as those cited in the Clean Air Act of 1977. Also included is a comprehensive bibliography and over 340 illustrations.
Author: Jonathan A. Bray
Publisher:
ISBN:
Category : Intermediates (Chemistry)
Languages : en
Pages : 318
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Book Description
Author: Luminita Carmen Jitariu
Publisher:
ISBN:
Category : Air
Languages : en
Pages :
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Book Description
Author: Terry A. Miller
Publisher:
ISBN:
Category :
Languages : en
Pages : 6
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Book Description
Free radical reactions are of crucial importance in combustion and in atmospheric chemistry. Reliable theoretical models for predicting the rates and products of these reactions are required for modeling combustion and atmospheric chemistry systems. Unimolecular reactions frequently play a crucial role in determining final products. The dissociations of vinyl, CH2= CH, and methoxy, CH3O, have low barriers, about 13,000 cm-1 and 8,000 cm-1, respectively. Since barriers of this magnitude are typical of free radicals these molecules should serve as benchmarks for this important class of reactions. To achieve this goal, a detailed understanding of the vinyl and methoxy radicals is required. Results for dissociation dynamics of vinyl and selectively deuterated vinyl radical are reported. Significantly, H-atom scrambling is shown not to occur in this reaction. A large number of spectroscopic experiments for CH3O and CHD2O have been performed. Spectra recorded include laser induced fluorescence (LIF), laser excited dispersed fluorescence (LEDF), fluorescence dip infrared (FDIR) and stimulated emission pumping (SEP). Such results are critical for implementing dynamics experiments involving the dissociation of methoxy.
Author: Antoine Roose
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
Many uncertainties are still associated to chemical reaction mechanisms implemented in atmospheric models, especially for ROx radicals (OH, HO2, RO2). Of particular interest, heterogeneous processes (uptake of radicals) occurring at the aerosol surface have yet to be better described in models. The objective of this work is to investigate the peroxy radical uptake onto organic aerosol surfaces. The uptake is investigated both experimentally (macroscale observation) and theoretically (molecular level description).In the first part of this thesis an aerosol flow tube coupled to a peroxy radical measurement system (chemical amplification) has been developed and characterized. This system allows the measurement of HO2 uptake onto organic aerosols and could be used to measure RO2 uptakes as well. In this work, the uptake coefficient of HO2 onto glutaric acid particles has been measured and compared to conflicting literature data.The second part of this work consisted in the computation of fundamental processes driving the HO2 uptake onto glutaric acid model particles, using molecular modelling tools (molecular dynamics (MM) and/or quantum mechanics (QM)). The accommodation coefficient has been determined and a preliminary investigation of heterogeneous reactions has been carried out using the hybrid QM/MM ONIOM method.
