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2018年 第1期

PAMAM接枝改性碳纤维表面及分子动力学模拟*
孙景峰,邢丽欣,姚 远,赵 峰,黄玉东**
(哈尔滨工业大学 化工与化学学院 新能源转换与储存关键材料技术工信部重点实验室,黑龙江 哈尔滨 150001)
摘 要:采用化学法将聚酰胺-胺树枝状大分子(PAMAM)接枝在T700碳纤维(CFs)表面,对比了不同代数PAMAM分子接枝前后CFs表面的微观形貌,并对CFs/环氧微复合材料的界面剪切强度(IFSS)进行测试及材料拉脱断口处形貌观察。与未处理纤维相比,经过G1.0代PAMAM接枝处理后的复合材料IFSS值提高了30.37 %。采用Materials Studio程序包,建立碳纤维、环氧树脂及两者间界面的结构模型并进行优化,通过分子动力学模拟并计算了界面相互作用能,结果表明,引入PAMAM分子会提高CFs与环氧树脂间的界面结合能,与实验结果一致。
关键词:碳纤维;PAMAM;界面性能;界面结合能
  中图分类号:TB332 文献标识码:A 文章编号:1001-0017(2018)06-0378-06

Surface Modification of Carbon Fiber with PAMAM and its Molecular Dynamics Simulation

SUN Jing-feng, XING Li-xin, YAO Yuan, ZHAO Feng and HUANG Yu-dong

(MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, College of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001, China)

Abstract: The polyamide-amine dendrimer (PAMAM) was grafted onto the surface of T700 carbon fiber (CFs) by chemical method. The surface morphology of CFs before and after grafting of different generation PAMAM molecules was compared. The interface shear strength (IFSS) of CFs/epoxy micro-composites was tested and the fracture morphology of the material was observed. Compared with the untreated fiber, the IFSS value of the composite with PAMAM-G1.0 grafted CFs increased by 30.37%. The structural model of CFs, epoxy resin and their interface were established and optimized via Materials Studio package. Then the interaction energy of the interface was simulated by molecular dynamics. The results showed that the introduction of PAMAM molecules onto CFs would improve the interfacial binding energy between CFs and epoxy resin, which was consistent with the experimental results.

Key words: CFs; PAMAM; interfacial property; interfacial binding energy

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