Computational Fluid Dynamic (CFD) and Reaction Modelling Study 6 of Bio-oil Catalytic Hydrodeoxygenation in Microreactors

A Computational Fluid Dynamic (CFD) model was derived and validated, in order to, investigate the hydrodeoxygenation 9 reaction of 4-propylguaiacol, which is a lignin-derived compound present in bio-oil. A 2-D packed bed microreactor was 10 simulated using pre-sulphided NiMo/Al2O3 solid catalyst in isothermal operation. A pseudo-homogeneous model was first 11 created to validate the experimental results from literature. Various operational parameters were investigated and validated 12 with the experimental data, such as temperature, pressure and liquid flow rate; and it was found that the CFD findings were 13 in very good agreement with the results from literature. The model was then upgraded to that of a detailed multiphase 14 configuration; and phenomena such as internal and external mass transfer limitations were investigated, as well as, reactant 15 concentrations on the rate of 4-propylguaiacol. Both models agreed with the experimental data, and therefore confirm their 16 ability for applications related to the prediction of the behaviour of bio-oil compounds hydrodeoxygenation.