Co-pyrolysis of oil shale and waste tire could be an
economical
and environmental-friendly way to recover waste tire if it could improve
the quality and quantity of pyrolytic shale oil. In this paper, a
thermogravimetric system coupled with a mass spectrometry system (TG-MS)
was applied to investigate pyrolytic behaviors of co-pyrolysis. It
was found that co-pyrolysis had little effect on char formation; however,
the MS system detected that co-pyrolysis boosted gaseous volatiles
of a medium molecular weight as well as H2 and H radicals.
Therefore, simulating cells were constructed to run reactive force
filed molecular dynamics (ReaxFF MD) simulations, which aim to further
investigate mechanisms of co-pyrolysis. In simulations, intermediate
products were categorized into six classes according to the carbon
number. Simulations indicated that co-pyrolysis had little effect
on char mass fractions (40 ≤ C), which coincided with the TG
findings. Meanwhile, co-pyrolysis favored the breakage of CC bonds
and CO bonds within kerogen and thus resulted in more light shale
oil with less heteroatom O. Specifically, a more light oil fraction
(5 ≤ C ≤ 9) is the product of rearrangement reactions
whose reactants are the gaseous intermediate (C < 5) from CC bond
rupture. The heteroatom O from CO bond rupture is much more likely
to transform into H2O.