Development of the cumene oxidation process: Rigorous design, optimization, and control

Abstract

This work first proposes a rigorous process model for the industrial production of cumene hydroperoxide (CHP) through cumene oxidation. The research scope covers process design, optimization, and controllability studies. The study began with a comprehensive analysis and supplementation of the required physical properties. The group contribution method or COSMO-based calculations are used to estimate the required mixture properties. With a detailed description of the thermodynamics, the kinetic parameters are re-regressed using the literature data. Subsequently, alternative configurations of the process are designed and compared, including the single-reactor (1R) and three-reactor (3R) designs. After thorough analysis, it is found that employing a 3R-design increases per-pass conversion by 4.8 % and CHP yield by 4.0 %, while reducing reboiler duty by 20.5 % compared to the single-reactor process. Finally, alternative control structures are proposed for the 3R-design. The control strategy employing pressure scheduling in the reactors and controlling the bottom temperature of the stripper (i.e. CS3) is found to be effective in rejecting the specified feed disturbances (i.e. ± 10 % flowrate change and 2 % impurity of CHP, acetone, phenol, and water in the cumene feed, respectively).