Oxygen Chemistry in Polymer Fouling: Insights from Multiphase Detailed Kinetic Modeling
Name
manuscript_for_publication.pdf
Size
990.29 KB
Format
Adobe PDF
Checksum (MD5)
bb1232fc2e750f1b9dce68366a0711b6
Author(s)
Pang, Hao-Wei
Dong, Xiaorui
Green, William H.
Date Issued
January 2, 2024
Journal
Industrial & Engineering Chemistry Research
Publisher
American Chemical Society (ACS)
Citation
Hao-Wei Pang, Xiaorui Dong, and William H. Green
Industrial & Engineering Chemistry Research 2024 63 (2), 1013-1028.
Version
Author's final manuscript
Abstract
Polymer fouling is a pervasive challenge in downstream processes of steam cracking. Molecular oxygen is likely to present and 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 (ppb level) of 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.
Subjects
Industrial and Manufacturing Engineering
General Chemical Engineering
General Chemistry
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
Terms of Use
Creative Commons Attribution-Noncommercial-Share Alike
Persistent DSpace Link
DOI of Published Version
https://doi.org/10.1021/acs.iecr.3c03730
