The Effect of Ca, Sr, and Ba Chloride Complexes with Dibenzo-18-Crown-6 Ether as Catalysts on the Process Criteria for the Efficiency of Cumene Oxidation (the First Stage in the Chain of Polymer Composite Production)

A study was made on the effect of Ca, Sr, and Ba chloride complexes with dibenzo-18-crown-6 ether as catalysts process criteria efficiency industrial cumene oxidation using kinetic modeling. It is first stage in chain polymer composite production. The scheme classical reactions radical mechanism (reactions initiation, propagation, termination), molecular reactions, formation intermediate adducts “component reaction mixture—catalyst” their decomposition, well that take into account specifics catalyst used: (1) planar various substances; (2) acetophenone along catalytic path; (3) hydration adduct “α-methylstyrene—catalyst” to required alcohol. shown model fully reproduces experimental time dependencies hydroperoxide concentration decomposition. Using model, computational experiments were carried out, a result which following conclusions made: among considered catalysts, complex Sr should be recognized best, provided it used at temperatures 393–413 K an initial < 2 mmol/L; ensure selectivity comparable non-catalytic process, necessary conduct lowest possible any catalysts.