(142aw) Kinetic Simulation of an Annular Reactor Using CFD

The objective of this work is to use the advanced oxidation processes (AOP) to remove organic materials in waste water.  An annular reactor has been used to carry out this process, and its fluid dynamics was well understood.  However, the reaction mechanism of AOP encompasses very large kinetic constants, such as 10¹⁰L/mol/s. It can be seen rapid variation in the species concentration. In the present work, the simulation of reactions in an annular reactor was developed using CFD commercial code, the ANSYS 13.0.  At first, the simple reactions with low kinetic constant were considered. Then, multiple reactions with low and high constants were simulated. Finally, a pseudo first order kinetic of phenol degradation was studied.  A sequence of calculations was carried out using successive refinement of several meshes, and it can be observed mesh convergence. The k-ω turbulence model well represents the fluid dynamics of the reactor. The geometry directly influences the profiles of species concentration. The degradation of phenol can be simulated using relaxation factors of 10¹² kg/m³/s at least. The satisfactory results indicate that the strategy may be applied to simulate reactions using CFD tool.