I: Reaction of CH3C1 with H2 and CH4 under oxidation and pyrolysis conditions II: Kinetic analysis of C2H6, C2H4, and C2H2 reactions with OH, O, H, and Cl

Author

Qing-Rui Yu, New Jersey Institute of Technology

Document Type

Thesis

Date of Award

5-31-1992

Degree Name

Master of Science in Environmental Science - (M.S.)

Department

Chemical Engineering, Chemistry and Environmental Science

First Advisor

Joseph W. Bozzelli

Second Advisor

Leonard Dauerman

Third Advisor

John W. Liskowitz

Abstract

Experimental and detailed modeling are presented for the high temperature combustion systems involving CH₃Cl/CH₄/O₂ and C₃3Cl/H₂/O₂ reactions. More important C2 species reaction rate constant are created. A mechanism incorporating 263 step elementary reactions and 76 stable compounds and active radicals is developed based on (1) fundamental thermochemical and Kinetic principles (2) Quantum Rice-Ramsperger-Kassel (QRRK) theory analysis (3) accurate thermodynamic Properties and thermochemical analysis (4) reliable experimental data to validate our model.

The study of Part II evaluates and analyzes theoretically the rate constants of C₂H₆, C₂H₄, and C₂H₂ reactions with OH, O, H, and Cl important to incineration based on detailed selection of accurate experimental data and QRRK analysis. Recommended rate constants can be applied to model research.

Recommended Citation

Yu, Qing-Rui, "I: Reaction of CH3C1 with H2 and CH4 under oxidation and pyrolysis conditions II: Kinetic analysis of C2H6, C2H4, and C2H2 reactions with OH, O, H, and Cl" (1992). Theses. 1828.
https://digitalcommons.njit.edu/theses/1828