Chemical reaction in the gas phase

Yamamoto T 1960 Quantum statistical mechanical theory of the rate of exchange chemical reactions in the gas phase J. Chem. Phys. 33 281... 

Computer simulation techniques offer the ability to study the potential energy surfaces of chemical reactions to a high degree of quantitative accuracy [4]. Theoretical studies of chemical reactions in the gas phase are a major field and can provide detailed insights into a variety of processes of fundamental interest in atmospheric and combustion chemistry. In the past decade theoretical methods were extended to the study of reaction processes in mesoscopic systems such as enzymatic reactions in solution, albeit to a more approximate level than the most accurate gas-phase studies. 

CHEMICAL REACTIONS IN THE GAS PHASE AND IN SIMPLE SOLVENT MODELS... 

The development of the mass burning rate [Eq. (6.118)] in terms of the transfer number B [Eq. (6.120)] was made with the assumption that no oxygen reaches the fuel surface and no fuel reaches °°, the ambient atmosphere. In essence, the only assumption made was that the chemical reactions in the gas-phase flame zone were fast enough so that the conditions mos = 0 = m[m could be met. The beauty of the transfer number approach, given that the kinetics are finite but faster than diffusion and the Lewis number is equal to 1, is its great simplicity compared to other endeavors [20, 21],... 

The model for phase transitions and chemical reactions takes into account thermal destruction of dust particles, vent of volatiles, chemical reactions in the gas phase, and heterogeneous oxidation of particles influenced by both diffusive and kinetic characteristics. 

Two chemical reactions in the gas phase were considered generalized volatiles component L oxidizing (unidirectional) and carbon monoxide CO oxidizing... 

Chemical reactions in the gas phase. One reaction is the chemical hydrogen burning ... 

This chapter focuses on the dynamics of gas-surface chemistry as defined above. Both the theoretical and experimental methodology inherent in such an approach borrow much from an older sibling, i.e., the study of the dynamics of atom-molecule chemical reactions in the gas phase [1]. However, gas-surface reactions are more... 

This chapter sets out the basic formulation and governing equations of mass-action kinetics. These equations describe the time evolution of chemical species due to chemical reactions in the gas phase. Chapter 11 is an analogous treatment of heterogeneous chemical reactions at a gas-solid interface. A discussion of the underlying theories of gas-phase chemical reaction rates is given in Chapter 10. 

The numerator of this quotient represents the desirable mass flux of a species to the surface, and the denominator represents the potential availability of the species. The denominator is the sum of species k entering the system directly or being created by chemical reaction in the gas phase. 

Mention must also be made of the use of studies of chemical reactions in the gas phase as a means of determining substituent constants. The investigation of substituent effects and LFERs in the gas phase has become an enormous subject with which we can deal only briefly. Part of this subject was established a long time ago and consists in the study of such reactions as the pyrolysis of esters by the techniques of gas kinetics (see the review by Smith and Kelly52). One purpose of such work is to see how far substituent constants based on processes in solution may be applied successfully in the gas phase. This leads to the possibility of determining substituent constants in the complete absence of solvent. Work of this nature continues today see the recent review by Flolbrook in this Series53, which updates the earlier review by Taylor54. 

The main physicochemical processes in thin-film deposition are chemical reactions in the gas phase and on the film surface and heat-mass transfer processes in the reactor chamber. Laboratory deposition reactors have usually a simple geometry to reduce heat-mass transfer limitations and, hence, to simplify the study of film deposition kinetics and optimize process parameters. In this case, one can use simplified gas-dynamics reactor such as well stirred reactor (WSR), calorimetric bomb reactor (CBR, batch reactor), and plug flow reactor (PFR) models to simulate deposition kinetics and compare theoretical data with experimental results. 

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