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Abstract The impacts of crosslinking bond types on the equilibrium kinetics and uniaxial tensile properties of polyisoprene rubber were investigated by using molecular dynamics (MD) simulations. We analyze the changes in mean square displacement, glass transition temperature, and end-to-end vector autocorrelation function of different crosslinked systems during the equilibrium process. It was found that the mobility of polysulfide crosslinked systems was more limited compared with that of monosulfide and disulfide bonds. In addition, during uniaxial stretching, the polysulfide-bonded crosslinked system could exhibit better tensile strength, and the stress response was significantly improved. The above research results help to understand the mechanical properties and deformation mechanism of crosslinked polyisoprene rubber and provide certain reference values for improving the performance of related materials.
Zuo et al. (Fri,) studied this question.