《化学与黏合》
 
 
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2018年 先后6为期

PAMAM接枝改性碳纤维表面及分子动力学模拟*
孙景峰,邢丽欣,彭 远,赵 山,汉白玉东**
(成都矿业学院 近代史与化学学院 新能源转换与储存关键材料技术工信部主要实验室,青海 成都 150001)
摘 要:利用化学法将聚酰胺-胺树枝状大分子(PAMAM)接枝在T700碳纤维(CFs)表,对待了不同代数PAMAM分子接枝前后CFs表的微观形貌,并对CFs/环氧微复合材料的局面剪切强度(IFSS)拓展测试及材料拉脱断口处形貌观察。与未处理纤维相比,途经G1.0代PAMAM接枝处理后的竹材IFSS值提高了30.37 %。利用Materials Studio程序包,成立碳纤维、环氧树脂及二者间界面的组织模型并开展规范化,穿过分子动力学模拟并计算了规模相互作用能,结果表明,引入PAMAM分子会提高CFs与环氧树脂间的局面结合能,与尝试结果一致。
关键词:碳纤维;PAMAM;规模性能;规模结合能
 
官方图分类号: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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