화학공학소재연구정보센터
Chemical Engineering Journal, Vol.280, 682-694, 2015
Modeling of oxidative dehydrogenation of ethane to ethylene on a MoVTeNbO/TiO2 catalyst in an industrial-scale packed bed catalytic reactor
The oxidative dehydrogenation of ethane (ODH-Et) seems the most promising alternative to produce ethylene compared to conventional processes. Nevertheless, there is not even a pilot plant for ODH-Et worldwide nowadays. This work presents the simulation of the catalytic behavior of a highly active and selective MoVTeNbO catalyst for the ODH-Et in a wall-cooled industrial-scale packed-bed reactor with a tube to particle diameter ratio equal to 3.12. The feasibility of using this complex yet necessary reactor design, as well as the influence of operating conditions on conversion and yield along the reactor are analyzed. The simulations are carried out using a two-dimensional pseudo-heterogeneous model, which makes use of both a reliable kinetic model and reliable transport parameters. Specifically, the kinetic model, obtained from lab-scale experimental data, is coupled to the reactor model accounting for transport phenomena wherein the effect of hydrodynamics on heat transfer is assessed from independent experiments in absence of reaction in an industrial-scale reactor. The developed kinetics successfully accounts for both the inhibiting effect of adsorbed water on oxidative dehydrogenation and total oxidations and the effect of the inlet partial pressure of oxygen and ethane on conversion and selectivity. Besides, the reactor model elucidates the importance of accounting for the role of the hydrodynamics on the heat transport in order to have reliable conversion and yield predictions. From the parametric sensitivity study, the temperature of the coolant fluid and the inlet ethane concentration are variables for tuning the reactor performance. (C) 2015 Elsevier B.V. All rights reserved.