Reaction kinetics gas phase

Graphical Interface for the Study of Gas-Phase-Reaction Kinetics Cyclopentane Vapor Pyrolysis 230... 

Present research efforts aim mainly at obtaining the important parameters from a study of the macrokinetics of combustion. It is important to estimate the effects of flame retardants, chemical structure of the polymer and polymer composition on variations of the solid- and gas-phase reaction kinetics. 

Chemical means include 1) modification of polymer morphology and structure modification of composition and relative amounts of material components, causing a variation of condensed- and gas-phase reaction kinetics and mechanisms, at their interface 2) affecting the flame with various chemical agents (gas-phase combustion inhibitors). 

Wilson, W. E., A Critical Review of the Gas Phase Reaction Kinetics of Several Bimolecular Reactions of the Hydroxyl Radical, NSRDS-NBS, in press. 

V.N.Kondratiev and E.E. Nikitin, Chemical Processes in Gases. Moscow, Nauka, 1981, 262p. (in Russian). Revised English Edition Gas-Phase Reactions. Kinetics and Mechanisms. Berlin-Heidelberg, Springer, 1981, 240p. 

The next chapter reviews the reactions of free atoms and radicals which play an important role in the modeling of complex processes occurring in the polluted atmosphere and in combustion chemistry. J. Jodkowski discusses the computational models of the reaction rate theory most frequently used in the theoretical analysis of gas-phase reaction kinetics and presents examples of the reactions of reactive components of the polluted atmosphere, such as 02, NOx, OH, NH2, alkyl radicals, and halogen atoms. Kinetic parameters of the reactions under investigation are provided in an analytical form convenient for kinetic modeling studies. The presented expressions allow for a successful description of the kinetics of the reaction systems in a wide temperature range and could be used in kinetic studies of related species. 

Combustion processes are driven by energy-releasing chemical reactions. Detailed knowledge of the chemical kinetics of these individual reactive steps is required input to combustion models. For more than a decade, elementary gas-phase reaction kinetics has been successfully studied with the flash photolysis/resonance fluorescence technique (1-8). Typically, following broadband photolysis of a molecular precursor, reactant decays have been measured under pseudo-first-order kinetic conditions with cw resonance lamp excitation of free radical fluorescence. Increased utilization of laser probes in kinetic studies is exemplified by the recent pulsed-laser photolysis/pulsed-laser-induced fluorescence experiments of McDonald, Lin and coworkers (9-13). 

Nicholas, J. (1976). Chemical Kinetics, Wiley, New York, Chapters 2, 5, 6, and 7. A clear, thorough coverage of gas phase reaction kinetics. 

C.A. Taatjes, J.F. Herschberger, Recent progress in infrared absorption techniques for elementary gas phase reaction kinetics. Annu. Rev. Phys. Chem. 52, 41 (2001)... 

Kondratiev, V. N., and Nikitin, E. E. (1981). Gas-Phase Reactions Kinetics and Mechanisms, Springer-Verlag, Berlin. 

The effects of a-methylation on the gas-phase reaction kinetics and the mechanism of the pyrolysis of ethyl acetates have been theoretically studied at semi-empirical PM3 level. All the calculations showed that the thermal decomposition of alkyl acetates is a concerted asynchronous process via a six-membered cyclicTS, with the a-methyl substitution having a steric releasing effect in the TS. 

For the gaseous-layer effects, such as entrainment and detrainment of species across the liquid interface, chemical transformations in the gas phase, the effects of solar radiation on photosensitive atmospheric reactions, and temperature effects on the gas phase, reaction kinetics are important. In the interface regime, the transfer of molecules into the liquid layer prior to their chemical interaction in the liquid layer is studied. Not only does the liquid regime receive species from the gas phase, but species from the liquid are also volatilized into the gas phase. Important variables in the liquid regime include the aqueous film thickness and its effect on the concentration of species, chemical transformations in the liquid, and reactions involving metal ions originating from the electrochemical corrosion reactions. 

Kambanis, K.G, Y.G. Lazarou, and P. Papagiannakopoulos (1996), Gas phase reaction kinetics of Cl atoms with ICH2OCH3, Chem. Phys. Lett., 261, 457-462. 

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