Fig. 3: β-scission mechanism of PO hydrocracking over Ru1-ZrO2.
From: Upcycling polyolefins to methane-free liquid fuel by a Ru1-ZrO2 catalyst
a Reaction pathways and DFT calculated energy profiles of PP hydrocracking to gas products via β-scission mechanism with carbonium ions (energy unit: eV). The molecule structures in red or blue color are the same type of carbonium circularizing in the hydrocracking loop. b Schematic catalytic cycle of PO (PE or PP) hydrocracking on Ru1-ZrO2.
