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Waste plastics have emerged as a global environmental issue. Polyethylene, accounting for about 25% of global plastic production, has been acknowledged as the major cause of "white pollution". In this paper, a generalized molecular-level kinetic model was proposed to understand the pyrolysis of polyethylene applying structure-oriented lumping, Poisson distribution, and genetic algorithm. The number of ordinary differential equations derived from the reaction kinetics were dramatically reduced by this simplified network with 14-rule design. The generalizability was confirmed by case studies without any change in the rule design. Under most conditions, the mean relative error between experimental and model data could be controlled within 5%, while abnormal deviations indicate the obstacle of heat transfer. The simulation curve could provide guidance for the experiments by locating the peak value of products. From 400–470 °C in Case 2, the increase in the reaction proportion of producing light oil explains the experimental results from the perspective of molecular-level reaction network. The comparison between PE and PS pyrolysis elaborates different pyrolysis mechanisms based on the different molecular structures. • Established a generalized molecular-level model for polyethylene pyrolysis. • Offered an efficient tool avoiding repeated work in pyrolysis simulation. • Confirmed the generalizability by case studies without changing the rule design. • Provided guidance for the experiments by locating the peak value of products. [ABSTRACT FROM AUTHOR]

The accumulation of waste plastics has been one of the most urgent and difficult environmental challenges. In this work, the pyrolysis of polyethylene (PE) has been studied by thermogravimetric analysis (TGA), pyrolysis/gas chromatography/mass spectrometry (PyGC-MS), and a two-stage tube reactor. The pyrolysis behavior of high-density polyethylene (HDPE) and low-density polyethylene (LDPE) is compared, and there are almost no differences in the thermogravimetric curves obtained by TGA and the yield of gaseous products obtained in a two-stage process. The evolution of light olefins (C 2 –C 4) during the pyrolysis of PE is investigated in a two-stage process with a constant condition in the first stage (500 °C) and various conditions in the second stage (700–1000 °C, 0.2–0.4 s). The temperature in the second stage has a more significant effect on the yield and selectivity of light olefins than the residence time, and the ethylene, propylene, and butene yields do not increase monotonously as the temperature rises. The highest yield of light olefins of 76.1 wt% is obtained at 800 °C with a selectivity of 91.7%. The maximum yields of ethylene, propylene, and butene are 45.1 wt%, 17.3 wt%, and 24.3 wt%, respectively. The scission mechanisms are proposed to provide insight into the process during which PE molecules transform into light olefins. • There are almost no differences between the pyrolysis characteristics of high-density and low-density polyethylene. • The evolution of light olefins during the polyethylene pyrolysis is investigated by PyGC-MS and a two-stage tube reactor. • A high yield of light olefins of 76.1 wt% with a high selectivity of 91.7% is obtained at 800 °C. • Probable mechanisms for two-stage pyrolysis of PE are proposed to reveal the interplay of reactions. [ABSTRACT FROM AUTHOR]