Organochloride Speciation in Plastic Pyrolysis Oil by GC × GC Coupled to High-Resolution TOF-MS Using Scripting...

Area of Science:

• Analytical Chemistry
• Environmental Science
• Materials Science

Background:

• Chlorine (Cl) species in plastic pyrolysis oil (PPO) cause significant environmental and technical issues in plastic recycling.
• These issues include corrosion, catalyst deactivation, and the formation of undesirable byproducts during PPO processing.

Purpose of the Study:

• To develop and validate a robust methodology for identifying and quantifying chlorine species in PPO.
• To enhance the analysis of PPO samples for effective decontamination and process optimization.

Main Methods:

• A non-targeted screening methodology was developed using comprehensive two-dimensional gas chromatography coupled with high-resolution time-of-flight mass spectrometry (GC × GC-HR-TOFMS).
• The method employed scripting expressions for filtering based on isotopic patterns and utilized Spectral Analysis Tools (SAT) for fragment identification.
• Validation was performed using Cl-standards spiked in a hydrocarbon mixture before application to a real PPO sample.

Main Results:

• The developed methodology successfully identified 24 organochlorides in a real PPO sample.
• Scripting filters provided initial Cl-species detection, with SAT proving effective in distinguishing true positives from false positives.
• The combination of filters and SAT significantly improved the speed and power of PPO analysis.

Conclusions:

• The described GC × GC-HR-TOFMS methodology offers a powerful and efficient approach for screening and identifying chlorine species in PPO.
• This advancement facilitates better understanding and management of chlorine contaminants in plastic recycling.
• The improved analytical capability supports the development of cleaner and more sustainable plastic recycling technologies.