Academic Journal
Oxygen Chemistry in Polymer Fouling: Insights from Multiphase Detailed Kinetic Modeling
| العنوان: | Oxygen Chemistry in Polymer Fouling: Insights from Multiphase Detailed Kinetic Modeling |
|---|---|
| المؤلفون: | Hao-Wei Pang, Xiaorui Dong, William H. Green |
| سنة النشر: | 2024 |
| مصطلحات موضوعية: | Biochemistry, Medicine, Molecular Biology, Cancer, Inorganic Chemistry, Plant Biology, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, interphase transport phenomena, even small traces, critical model parameters, quantum chemistry calculations, molecular oxygen contaminant, oxygen chemistry, molecular oxygen, work presents, varying levels, typical debutanizer, time due, study showcases, steam cracking, res .<, primary source, preceding study, ppm level, phase equilibria, pervasive challenge, mechanistic fundamentals |
| الوصف: | 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. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | unknown |
| Relation: | https://figshare.com/articles/journal_contribution/Oxygen_Chemistry_in_Polymer_Fouling_Insights_from_Multiphase_Detailed_Kinetic_Modeling/24926588 |
| DOI: | 10.1021/acs.iecr.3c03730.s001 |
| الاتاحة: | https://doi.org/10.1021/acs.iecr.3c03730.s001 https://figshare.com/articles/journal_contribution/Oxygen_Chemistry_in_Polymer_Fouling_Insights_from_Multiphase_Detailed_Kinetic_Modeling/24926588 |
| Rights: | CC BY-NC 4.0 |
| رقم الانضمام: | edsbas.C4E71851 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1021/acs.iecr.3c03730.s001 |
|---|