Valérie Burklé-Vitzthum and, R. Michels, Gérard Scacchi and
Oct 10, 2003
Citations
2
Influential Citations
36
Citations
Journal
Industrial & Engineering Chemistry Research
Abstract
Thermal cracking of decylbenzene is experimentally studied at 330 °C under 70 MPa for 10 h to 1 month, that is, up to 20% of conversion. A detailed kinetic model consisting of 946 free-radical reactions and 1 molecular reaction is developed to describe the results. The formation of main products, namely, toluene, ethylbenzene, nonene, nonane, and octane, is correctly described by the model. The global activation energy is equal to 66 kcal·mol-1. The molecular reaction, that is, the retroen reaction, is of great importance: it explains the major part of toluene and nonene formation at 330 °C. At 400 °C this reaction becomes negligible but at 200 °C it is predominant. Its activation energy is about 54 kcal·mol-1 and is confirmed by experimental measurements. The mechanistic kinetic model is applied to the prediction of the thermal stability of decylbenzene at temperatures usually encountered in petroleum sedimentary basins (T < 250 °C). At such temperatures, the main reactive pathway, controlled by the retr...