KINETICS AND MODELING OF THE THERMAL-REACTION OF PROPENE AT 800 K .2.PROPENE IN THE PRESENCE OF HYDROGEN

It is shown that, at low extent of reaction, molecular hydrogen (30-26 0 torr) improves the selectivity of the thermal reaction of propene (3 0-200 torr), around 800 K, by increasing the rates of production of me thane, ethene, and propane whereas it has no effect on those of allene and 4-methylpent-1-ene, and reduces those of buta-1,3-diene and 2- or 3-methylcyclopentenes. A kinetic scheme and a modeling of the reactio n are proposed to account for the experimental results. The molecular mechanism of production of allene and of 4-methylpent-1-ene are confir med. Many rate constants of elementary steps are evaluated and shown t o broadly agree with literature data. (C) 1996 John Wiley & Sons, Inc.