碳纖維改性對界面性能影響的模擬與預測

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摘 要 碳纖維與樹脂之間的界面性能直接影響到復合材料的力學性能，為了高效篩選出最有效的碳纖維改性方法，本文構建了不同反應基團改性和不同接枝率的碳纖維界面模型，通過分子動力學模擬預測碳纖維與樹脂的界面相互作用能。計算結果表明，推電子基團要比吸電子基團更加適合用于改性碳纖維。

關鍵詞 鄰苯二甲腈；改性碳纖維；界面性能；分子動力學模擬

ABSTRACT The interfacial properties between carbon fiber and resin directly affect the mechanical properties of composites. In order to efficiently select the most effective modification methods of carbon fiber， this paper constructs the carbon fiber interface model with different reaction groups and different grafting rates， and predicts the interfacial interaction energy between carbon fiber and resin through molecular dynamics simulation. The results show that electron pushing groups are more suitable for modifying carbon fibers than electron withdrawing groups.

KEYWORDS phthalonitrile; modified carbon fiber; interface performance; molecular dynamics simulation

1 引言

碳纖維復合材料以其輕質(zhì)高強的性能被廣泛應用于航空航天及民用領域。（剩余4923字）