聚醚醚酮增强聚四氟乙烯力学性能模拟研究

Simulation Study on Mechanical Properties of Polyetheretherketone Reinforced Polytetrafluoroethylene

为从微观视域下研究聚四氟乙烯(PTFE)与聚醚醚酮(PEEK)共混材料的力学性能,基于分子动力学(Molecular Dynamics,MD)模拟研究方法,借助Material Studio(MS)仿真平台,构建梯度配比下的PTFE/PEEK复合材料体系,对其力学性能进行分子动力学模拟。采用恒应变法测定PTFE/PEEK共混材料的弹性模量、体积模量和剪切模量等力学性能参数,对不同配比下的PTFE/PEEK复合材料的力学性能进行分析。MS模拟结果表明:随着PEEK含量增加,复合材料的力学性能先提高后显著下降,PTFE/PEEK共混材料配比为90/10时力学性能表现最优。模拟结果与现有试验研究结果表现出良好的一致性,验证了该模拟研究方法的正确性,为后续PTFE/PEEK共混材料的改性研究提供了理论参考。

In order to research the mechanical properties of the blend of polytetrafluoroethylene(PTFE) and polyetheretherketone(PEEK) from the micro perspective,based on the molecular dynamics(MD) simulation research method,the PTFE/PEEK composite system with gradient ratio was established and the mechanical properties were simulated by the material studio(MS)simulation platform with the method of molecular dynamics.The young’s modulus,bulk modulus and shear modulus of PTFE/PEEK blend were measured by constant strain method.The mechanical properties of PTFE/PEEK composites with different ratios were compared and analyzed.The MS simulation results show that with the increase of PEEK content,the mechanical properties of the composite increase and then decrease significantly,and the mechanical properties of PTFE/PEEK blend with the ratio of 90/10 are the best.The simulation results are in good agreement with the existing experimental results,which verifies the correctness of the simulation research method and provide theoretical reference for the subsequent modification of PTFE/PEEK blends.