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
(4-CBA) as the main impurity of PTA, increases. The three-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.