聚硅氧烷-聚酰亚胺复合材料抗原子氧侵蚀机理分子动力学研究  

Molecular dynamics study on mechanism of atomic oxygen erosion resistance of polysiloxane-polyimide composites

作　　者：周生睿 张黎[1] 邹亮[1] 孙秋芹[2] ZHOU Shengrui;ZHANG Li;ZOU Liang;SUN Qiuqin(School of Electrical Engineering,Shandong University,Jinan 250061,China;College of Electrical and Information Engineering,Hunan University,Changsha 410082,China)

机构地区：[1]山东大学电气工程学院,山东济南250061 [2]湖南大学电气与信息工程学院,湖南长沙410082

出　　处：《绝缘材料》2024年第10期84-90,共7页Insulating Materials

基　　金：国家自然科学基金资助项目(52077127)。

摘　　要：为了探究不同取代基聚硅氧烷提升聚酰亚胺在太空环境中抵抗原子氧(AO)侵蚀能力的作用机制,本研究采用反应分子动力学(MD)模拟,分析了取代基分别为三氟甲基(-CF_(3))和甲基(-CH_(3))的多面体笼型聚硅氧烷(POSS)复合聚酰亚胺纳米材料的抗原子氧侵蚀性能。结果表明:PI/CH_(3)-POSS和PI/CF_(3)-POSS复合材料均表现出较强的抗AO侵蚀能力,其作用机制是通过形成SiO_(2)层以阻止AO向聚合物基体的传播和热量的传递,其中PI/CF_(3)-POSS复合材料的效果最优,经35 ps的AO侵蚀模拟后其归一化质量为0.83,而PI/CH_(3)-POSS复合材料的归一化质量为0.78。In order to investigate the improving mechanism of polysiloxane with different substituents on atomic oxygen(AO)erosion resistance of polyimide in space environments,reactive molecular dynamics(MD)simulations was used to analyze the AO erosion resistance of PI composited with polyhedral oligomeric silsesquioxane(POSS)with trifluoromethyl(-CF_(3))group and methyl(-CH3)group.The results show that both the composites exhibit strong AO erosion resistance by forming an SiO_(2)layer that blocks AO propagation into the polymer matrix and and heat transfer.The PI/CF_(3)-POSS shows the best performance,and its normalized mass is 0.83 after 35 ps of AO exposure,while the nomalized mass of the PI/CH3-POSS composite is 0.78.

关 键 词：聚酰亚胺 原子氧 笼型聚硅氧烷 三氟甲基 

分 类 号：TM215[一般工业技术—材料科学与工程]