Mechanistic Modeling of the Thermal Cracking of Decylbenzene. Application to the Prediction of Its Thermal Stability at Geological Temperatures

• Published in: Industrial & engineering chemistry research Vol. 42; no. 23; pp. 5791 - 5808
• Main Authors: Burklé-Vitzthum, Valérie, Michels, Raymond, Scacchi, Gérard, Marquaire, Paul-Marie
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 12.11.2003
• Subjects: Chemical Physics; Chemistry; Exact sciences and technology; Kinetics and mechanisms; Organic chemistry; Physics; Reactivity and mechanisms; Kinetic model; Thermal cracking; Reaction mechanism; Forecast model; Activation energy; Modeling; Free radical; Thermal stability

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, na...