posted on 2024-01-02, 17:09authored byHao-Wei Pang, Xiaorui Dong, William H. Green
Polymer fouling is a pervasive challenge
in the downstream processes
of steam cracking. Molecular oxygen is likely to present and is known
to strongly affect various polymerization processes, yet the role
of oxygen in distillation column fouling remains poorly understood.
Building upon the foundations laid in our preceding study [Pang et
al., Ind. Eng. Chem. Res. 2023, 62, 36, 14266–14285],
this work presents a detailed kinetic modeling approach to investigate
the impact of oxygen on polymer fouling in a typical debutanizer.
The fouling model incorporates molecular oxygen as a primary source
of contamination in the feedstock and encompasses a comprehensive
network of chemical reactions, phase equilibria, and interphase transport
phenomena. Critical model parameters are derived from quantum chemistry
calculations to ensure accuracy. The sensitivity of fouling rates
to varying levels of dissolved oxygen is examined. We find that even
small traces (ppm level) of the molecular oxygen contaminant in the
feedstock can significantly accelerate fouling growth in the colder
section. Furthermore, the dominant pathways of fouling are observed
to shift over time due to diffusion limitations. This study showcases
the power and adaptability of predictive detailed kinetic modeling
in deciphering the mechanistic fundamentals of polymer fouling.