Catalysis and Simulation of SBA-15 Zeolite Supported p-Toluenesulfonic Acid for the Synthesis of Dicumyl Peroxide

SBA -15 zeolite suppored p -toluenesulfonic acid ( TsOH/SBA -15 ) was prepared using the impregnation method. The catalytic activity of TsOH/SBA -15 in synthesis of dicumyl peroxide ( DCP ) from alpha -methylstyrene ( alpha -MS ) reacted with isopropylbenzene hydroperoxide ( CHP ) was evaluated. Under the conditions of m ( TsOH/SBA -15 ) / m ( CHP ) =0.15% , n ( alpha -MS ) / n ( CHP ) =2.0 , 44 degree celsius and 2.5 h , the yield of DCP was 62.1%. Simulation analysis suggested that the reaction process follows two mechanisms of asynchronous synergistic reaction and step -by -step reaction. alpha -MS , CHP , and TsOH undergo a single transition state in the asynchronous synergistic reaction process , while there are two transition states and one intermediate in the step -by -step reaction , both requiring H + proton transformation. The reaction energy barrier in the asynchronous synergistic reaction was calculated to be 121.8 kJ/mol at 44 degree celsius , while the reaction energy barriers were 74.1 and 78.3 kJ/mol in the two transition states in the step -by -step reaction , respectively.