Dynamic behavior and sensitivity of skeleton thermokinetic model for acetaldehyde oxidation

• Published in: Chemical engineering science Vol. 58; no. 18; pp. 4173 - 4184
• Main Authors: Liang, C.H., Mou, C.Y., Lee, D.J.
• Format: Journal Article
• Language: English
• Published: Oxford Elsevier Ltd 01-09-2003; Elsevier
• Subjects: Acetaldehyde oxidation; Applied sciences; Bifurcation; Chemical engineering; Chemistry; Continuous stirred tank reactor; Exact sciences and technology; Kinetics and mechanisms; Organic chemistry; Oscillation; Reactivity and mechanisms; Reactors; Bifurcation; Acetaldehyde oxidation; Continuous stirred tank reactor; Oscillation
• ISSN: 0009-2509; 1873-4405
• DOI: 10.1016/S0009-2509(03)00300-2

This work elucidated the dynamic behavior of the Wang–Mou model, a three-variable, skeleton model for acetaldehyde oxidation, in a continuously stirred tank reactor. The characteristics of the five dynamic regimes reported in the literature were numerically explored herein, specifically: (I) low-temperature steady state, (II) oscillatory two-stage ignitions, (III) complex oscillations, (IV) oscillatory cool flames, and (V) high-temperature steady state. Regimes were noted with new dynamic characteristics, which had not previously been reported. Additionally, bifurcations around the bistable and the birhythmic regimes were examined in detail.
The sensitivity analysis polynomial approximation method revealed the significance of the kinetic parameters on the system's dynamics. Furthermore, the sequences of the sensitivity coefficients for the five dynamic regimes were reported. The step which initiates oxidation controls the ignition oscillation's dynamics, while the low-temperature branching and high-temperature termination steps control the cool flame.