Detailed kinetic study of cumene isopropylation in a liquid–liquid biphasic system using acidic chloroaluminate ionic liquids

A kinetic study of cumene isopropylation has been carried out using the acidic ionic liquid 1-ethyl-3-methylimidazolium chloride ([EMIM]Cl)/AlCl3 (molar ratio 1:2) as the catalyst phase in a semi-batch liquid–liquid biphasic reaction system. Kinetic models representing the alkylation reaction network have been established based on reaction temperature and propylene partial pressure variations. By comparing the results of the kinetic models with the measured concentrations in the liquid organic phase, the importance of the different product solubilities in the acidic ionic liquid became evident. Correction of the product concentrations in the organic phase based on a COSMO-RS calculation of the relative product solubilities in the acidic ionic liquid [EMIM][Al2Cl7] gave a remarkably good prediction of the reaction kinetics by the kinetic model. These findings demonstrate the suitability of COSMO-RS to predict the relative solubilities of different aromatic compounds in highly reactive catalytic systems.