Simulation on pyrolysis behavior and reaction pathway of natural rubber and styrene-butadiene rubber by ReaxFF-MD - Li, Xiaohua; Liu, Weiming; Wang, Junlong; Shao, Shanshan; Ding, Weiliang (Express polymer letters, 2025)
Keywords: analytical modeling; Butadiene; copolymers; Density functional theory; dynamic testing; Energy; Heating rate; High temperature; Hydrocarbons; Methods; Methylcyclohexane; Natural rubber; Polymers; polyolefins; Pyrolysis; Reaction kinetics; recycling; Rubber; Simulation; Software; Styrenes; Temperature; Tires