Study on the Stress Relaxation of Polychloroprene Rubber by Molecular Dynamics Simulation at Different Temperature
作者： Yue Kai Gao , Xue Jia Ding , Tao Hu , Yi Li , Si Zhu Wu
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.532-533.311
关键词: Stress relaxation 、 Computational chemistry 、 Chemistry 、 Gyration 、 Natural rubber 、 Relaxation (physics) 、 Radius of gyration 、 Radius 、 Polymer 、 Thermodynamics 、 Viscoelasticity
摘要: In this study, molecular dynamics (MD) simulation has been employed to investigate the distribution function of gyration radius under different temperatures. The structure chloroprene rubber (CR) was constructed and circles energy minimization were applied. fitting functions normal stress with time pressures obtained. Compression relaxation experiment temperatures also conducted. Comparing coefficient from experiment, it found that theoretical results similar experimental data. indicated mean-square decreased reduction temperature, which corresponded typical viscoelasticity behaviors polymers. It is confirmed variation can be used quantitatively describe system a good agreement between curves data obtained MD simulation.
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