Industrial & Engineering Chemistry Research, Vol.57, No.41, 13671-13688, 2018
Dynamic Modeling Strategy To Assess Impacts of Hydrodynamic Parameters on Industrial Hydropurification Process by Considering Catalyst Deactivation
In this study, modeling and simulation of the dynamic behavior of an industrial-scale trickle bed reactor (TBR) with application to a hydropurification process for production of purified terephthalic acid (PTA) are carried out. The impacts of hydrodynamic parameters such as reactor bed porosity, liquid hourly space velocity (LHSV), and liquid solid and gas liquid mass transfer coefficients on the industrial hydropurification TBR performance (in particular, on the catalyst lifetime) are analyzed. As the palladium supported on carbon (Pd/C) catalyst deactivates with time, the concentration of impurities in the product, especially 4-carboxybenzaldehyde r, C., (4-CBA) as the main impurity of PTA, increases. The three - I phase dynamic mathematical model developed in this research work is validated against the plant data, and an average relative error of 2.2% is obtained for the concentration of 4-CBA. The lifetime of the catalyst based on plant data is 348.2 +/- 5.0 days; this value is estimated to be 365.1 days from the simulation results, showing a 4.8% error. According to the sensitivity analysis on the model parameters, the effects of LHSV and bed porosity are in the same direction and magnitude, while the effects of the liquid solid and gas liquid mass transfer coefficients are in the opposite direction, and their impacts are also less significant. These parameters are disturbed in a range of up to 15%, compared to the normal operating conditions that results in an absolute catalyst lifetime change of 2.9%-14.2%. The maximum and minimum variations in the catalyst lifetime are obtained when LHSV is disturbed by +10%, exhibiting a catalyst lifetime change of 14.2% at a 10% disturbance (416.9 days) and 6.5% at a +10% disturbance (341.3 days). A +15% disturbance in the liquid solid mass transfer coefficient increases the catalyst lifetime by 2.9% (375.8 days), and a 15% disturbance decreases this vital parameter by 3.7% (351.8 days). Eventually, the findings of this study might be applied to the relevant industrial sectors, providing the required close and meticulous control of the process.