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Polymer Pyrolysis And Oxidation Studies In A Continuous Feed And Flow Reactor : Cellulose, Polystyrene, And Polyethylene, Byung-Ik Park

Dissertations

A dual zone, continuous feed tubular reactor is developed to assessthe potential for formation of products from incomplete combustion in thermal oxidation of common polymers. Solid polymer powder (cellulose,polystyrene, or polyethylene) is fed continuously into a volatilization oven where it fragments and vaporizes under continuous steady state conditions. The gas phase polymer fragments flow directly into a second, main flow reactor oven and undergo further pyrolysis and oxidation reaction. Temperatures in the main flow reactor are varied independently of the volatilization zone to observe conditions needed to convert the initial polymer fragmentsto CO₂ and H₂O. Combustion products …

Modeling Study On The Neopentyl+ O2 Reaction System And Experimental And Modeling Study On Mtbe Pyrolysis And Oxidation, Ru Wei

Dissertations

A modeling study on neopentyl radical + O₂ reaction system is conducted in this study. Thermodynamic parameters on all species and important transition states are calculated. A thermochemical kinetic analysis is performed.

Thermodynamic parameters are estimated using group additivity with HBI groups. Transition state energies are evaluated from experimental and theoretical data in the literature, combined with elementary reaction modeling to account for temperature effects. Transition state structures, vibration frequencies and entropies are determined from semi-empirical calculations, MOPAC PM3. Kinetics are analyzed with quantum RRK theory for k(E) coupled with modified strong collision analysis of Gilbert et al for …