Kinetic modeling and CFD simulation of catalytic upgrading reactions: From batch to continuous reactors

Abstract

BackgroundUpgrading reactions not only increases hydrocarbon fluid's value but also, makes their consumption and transportation appropriate. MethodsCatalytic upgrading in porous media was modeled using CFD technique coupled with reaction kinetics. Reactive-convective-diffusive component transport during fluid flow and upgrading reaction were investigated. Five lumped kinetic model was used for the upgrading reaction simulation. Modeling results are verified with the experimental upgrading data on Ni-W-Mo catalyst at the static condition and kinetic parameters were tuned. Then, the reactive-convective-diffusive pore-scale flow was modelled. Simultaneous discretization of Navier-stokes and diffusion-convection mass balance equations coupled with upgrading reaction network were utilized for the modeling purpose. Significant findingHydrodynamic characteristics of reactive flow such a Reynolds number, shear rate, pressure, and velocity distribution in porous media were investigated. 5*10−5 is the maximum Reynold number of flow and this satisfies the creeping flow criteria. Moreover, the higher the temperature the more the upgrading reaction conversion. Finally, the effect of temperature and residence time on the product distribution of upgrading products (Residue, Vacuum gas oil (VGO), Distillate, Naphta) both for batch condition and continuous flow were studied. Based on these investigations, optimal residence time and temperature are 4000 s and 600 K, respectively.