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Results showed that particle size has big impacts on both first and second step reactions. Smaller size particle can accelerate the process of pyrolysis reaction. Finally, sensitivity analysis was brought to check the sensitivity and weight of each parameter in the model.The ultraviolet (UV) irradiation crosslinking reactions of polyethylene and the electronic properties of photo-initiators and reaction products are theoretically investigated by the first-principles calculations. The crosslinked polyethylene (XLPE) materials are prepared in