Study on micromolecular mechanical properties of C-atom reinforced SBR polymer composites

Abstract

Abstract A three-layer microscopic model with Fe atoms as the top and bottom layer and SBR polymer composites as the middle layer and SBR polymer composite was established and studied. By adding C atoms as reinforcement, the stabilityand elastic modulus and frictional coefficient changes of SBR polymer composites before and after adding C atoms were studied. In this study, the molecular dynamics method was used to change of elastic modulus was observed by stretching, compression and shear of the SBR polymer composite; The simulation shows that after adding C atom the elastic modulus of SBR polymer composite increased, the friction coefficient of polymer composite upper and lower decreases and the relative atomsic concentration, temperature, velocity, overall temperature average, kinetic energy, total energy and MSD in the thickness direction are reduced after adding C atoms. The stability of SBR polymer composites is enhanced, and the deformation under shear is weakened. In addition, it is found that the binding energy between SBR polymer composites and Fe atoms is reduced after adding C atoms.The stability of SBR polymer composites is improved during use.This work provides a method for studying the properties of rubber composites by studying the enhancement of the stability of SBR polymer composites from the microscopic point of view.