聚丙烯
材料科学
极限抗拉强度
复合材料
马来酸酐
分子动力学
结晶度
纳米复合材料
复合数
退火(玻璃)
聚合物
表面改性
纤维
碳纤维复合材料
共聚物
化学工程
化学
计算化学
工程类
作者
Shin‐Pon Ju,Chien-Chia Chen,Tien-Jung Huang,Chun-Hsiung Liao,Hsin‐Lung Chen,Ying-Chen Chuang,Yng-Ching Wu,Hsin‐Tsung Chen
标识
DOI:10.1016/j.commatsci.2015.12.032
摘要
This study investigates the interfacial strengths between polypropylene (PP)/carbon fiber (CF) composites through experimental observation as well as using molecular dynamics (MD) simulation to determine optimal chemical functionalization groups for four PP/CF composites. First, the structures of PP/CF, PP-graft-maleic anhydride (PP-MAH)/CF, PP-MAH/CF-NH2 (2%) and PP-MAH/CF-NH2 (5%) were constructed to obtain stable interface structures by the simulated-annealing procedure, and these structures were further used to evaluate the interface bonding strength. The study found that the degrees of crystallinity of PP and PP-MAH at the interfaces are significantly improved when compared to those of the pristine structure. The results show, through the interaction energy per unit area and the tensile simulation mechanical strength, that the strengths of the modified PP/functionalized-CF are higher. Finally, the MD simulation results of the modified PP and functionalized-CF composites are demonstrated to provide an economical and quick approach to examine the mechanical properties of a polymer composite system before conducting an experiment. Such MD results can be utilized to guide both the design of polymer/carbon fiber composites and to select proper functionalized groups.
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