Date of Graduation

Summer 8-1-2016

Document Type

Thesis

Degree Name

Master of Science in Chemistry

College/School

College of Arts and Sciences

Department/Program

Chemistry

First Advisor

Giovanni Meloni

Abstract

The low temperature (298 – 700 K) oxidation characterizations of a series of fuel additives (ETBE and isooctane) were studied at advanced light source in Lawrence Berkley National lab, using a multiplexed chemical kinetics photoionization mass spectrometer with tunable synchrotron radiation. Using Cl atoms as initiators in presence of oxygen, photoionization data were collected. Data analysis was performed via characterization of the reaction species photoionization spectra and kinetic traces, from which the products and also the intermediates were identified. Relevant reaction dynamics on potential energy surfaces were calculated, reaction enthalpies of each individual step were presented using the CBS-QB3 composite model, and reaction pathways were proposed.

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