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 α-methylstyrene(α-MS)reacted with isopropylbenzene hydroperoxide(CHP)was evaluated.Under the conditions of m(TsOH/SBA-15)/m(CHP)=0.15%,n(α-MS)/n(CHP)=2.0,44℃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.α-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 trans-formation.The reaction energy barrier in the asynchronous synergistic reaction was calculated to be 121.8 kJ/mol at 44℃,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.
p-Toluenesulfonic acidSBA-15 zeoliteDicumyl peroxideIsopropylbenzene hydroperoxideReaction energy barrier
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