Physical Sciences and Mathematics Commons^™

Kinetic Study Of Free Radical-Radical Reactions Of Combustion Importance At Elevated Pressures, Chao Yan

Dissertations

Combustion mechanisms consist of hundreds elementary reactions of free radicals and stable molecules. Radical-radical elementary reactions play important roles due to the high concentration in which free radicals are accumulated in combustion systems. Radical-radical reactions are typically multi-channel. Some of the channels might be of chain propagation or even chain branching nature, while other channels might be of chain termination nature. The relative importance of different channels is pressure dependent. Compared to radical-molecule reactions, radical-radical reactions are much less studied. This is due to the difficulties of well characterized quantitative production of radical species as well as due to the …

Energy Methods For Reaction-Diffusion Problems, Xing Zhong

Dissertations

Nonlinear reaction-diffusion equations arise in many areas of applied sciences such as combustion modeling, population dynamics, chemical kinetics, etc. A fundamental problem in the studies of these equations is to understand the long time behavior of solutions of the associated Cauchy problem. These kinds of questions were originally studied in the context of combustion modeling.

For suitable nonlinearity and a monotone increasing one-parameter family of initial data starting with zero data, small values of the parameter lead to extinction, whereas large values of the parameter may lead to spreading, i.e., the solution converging locally uniformly to a positive spatially independent …

Mathematical Models Of Combustion At High Pressure, Daniel Fong

Dissertations

In this dissertation, we develop new mathematical theories of flame propagation that are valid at elevated, or extreme, pressures. Of particular interest is the regime of burning in which the pressure exceeds the critical pressure of the species undergoing chemical reaction. Fluids and flames are known to behave differently under these extreme conditions as opposed to atmospheric pressure. The focus of this dissertation is to investigate these differences by deriving reduced models that contain the unique features.

In the first part of this dissertation, we analyze the structure of laminar diffusion flames at high pressure in the limit of large …

Experimental And Modeling Studies Of Formation Of Products Of Incomplete Combustion And Chlorocarbon Incineration, Roman Brukh

Dissertations

The two-stage combustor facility was used to investigate the process of chlorocarbon incineration and formation of products of incomplete combustion. For this purpose methylene chloride was used as a chlorine-containing compound. The propose of this research was to obtain a better understanding of the incineration process of chlorocarbons, such as methylene chloride, especially regarding its destruction efficiency and formation of products of incomplete combustion. For measuring near-real time very low concentrations of benzene and methylene chloride, on-line microtrap gas chromatography system was used.

The experimental system was validated using a known combustion reaction mechanism from literature. Modeling of combustion process …

Experiment, Thermodynamic Properties And Modeling On Combustion Of Methyl Tert-Butyl Ether : Isobutane And Isobutene And Thermodynamic Properties Of Chloro Alkanes And Alkenes, Chiung-Ju Chen

Dissertations

The reaction systems: methyl tert-butyl ether (MTBE) unimolecular decomposition, MTBE radicals + O₂, tert-butyl radical +O₂, isobutene + HOO. (HO₂),isobutene + OH, sobutene-OH adducts + O₂, and allylic isobutenyl radical + O₂, are important systems in the understanding the oxidation chemistry of MTBE, tertiary butyl radical (C3C.), and sobutene, are analyzed. Thermochemical parameters are determined by ah initio Møller-Plesset (MP2(full)/6-31g(d)), complete basis set model chemistry (CBS-4 and CBS-q with MP2(full)/6-31g(d) and B3LYP/6-31g(d) optimized geometries), density functional (B3LYP/631g(d)), semi-empirical MOPAC (PM3) molecular orbital calculations, and by group additivity estimation. Thermochemical …