화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.46, No.21, 6891-6898, 2007
Modeling liquid-phase cyclohexane oxidation
While models for cyclohexane oxidation of varying complexity have appeared in the literature, several features remain unexplained. Oscillations in rate that were observed by Suresh et al. are a case in point. Likewise, a quantitative description of the induction period, a characteristic feature of this and other hydrocarbon oxidations, is not so far available. In this paper, a model that seeks to capture the essential features of the liquid-phase oxidation of cyclohexane is developed, keeping the above lacunae in focus. The model is based on the classical free-radical scheme that has been suggested for such processes but makes lumping assumptions about product and free-radical concentrations in order to keep the number of parameters to a minimum. The model has been validated and parameters estimated using the data of Suresh. The model has been shown to explain the liquid deactivation observed by Suresh et al. in their 'on-off' experiment. The kinetic principles proposed have interesting implications when the reaction takes place under conditions of mass-transfer limitation in a bubbling reactor.