Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 1 of 1
Full-Text Articles in Physical Sciences and Mathematics
Oxidation Of Isobutane And Isobutene Reaction Pathways And Detailed Mechanism, Chiung-Ju Chen
Oxidation Of Isobutane And Isobutene Reaction Pathways And Detailed Mechanism, Chiung-Ju Chen
Theses
A reaction mechanism consisting of 248 elementary reactions and 138 species has been developed to model experimental systems - decomposition of 2,2,3,3 tetramethylbutane in the presence of oxygen and oxidation of isobutene. This elementary reaction mechanism based on two important reaction systems: tert-butyl radical with O2 and allylic isobutenyl radical with O2, plus their subsystems, such as isobutene + HO2, isobutene + OH and allylic isobuteny1hydroxy + O2. Thermochernical kinetic parameters are developed for each elementary reaction and a chemical activation kinetic analysis using quantum RiceRamsperger-Kassel (QRRK) theory for k(E) and modified strong …