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PBT/增塑剂共混物相容性的介观动力学模拟 被引量:4

Mesoscopic Dynamic Simulation on Compatibility of PBT/Plasticizers Blends
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摘要 用分子动力学(MD)和介观动力学(MesoDyn)法模拟研究了粘合剂3,3-二叠氮甲基氧丁环-四氢呋喃共聚醚(PBT)与A3[双(2,2-二硝基丙醇缩甲醛(A2)与双(2,2-二硝基丙醇)缩乙醛(A1)质量比1∶1混合物]、端叠氮基聚叠氮缩水甘油醚(GAPA)等不同增塑剂组成的共混体系的溶度参数和共混物分子间的Flory-Huggins作用参数,预测了共混物的相容性和介观形貌。结果表明:室温下PBT/A3共混体系,增塑比为1.4时体系的相容性最好;对增塑比为1.2的PBT/A3/GAPA共混物,PBT/A3/GAPA配比为10/2/10体系的相容性最好。 The molecular dynamics (MD) and mesoscopic dynamics (Mesodyn) simulations were performed to investigate the solubility parameters and Flory-Huggins interaction parameter of 3, 3-diazidomethyloxetane- tetrahydrofuran copolymers (PBT) with different plasticizers blends including A3 [the mixture of 1:1 of bis (2,2- dinitropropyl) acetal (A2) and bis (2, 2-dinitropropyl) formal (A1) ] and azide group terminal glycidyl azide polymer (GAPA) in this paper. The compatibility and microphase morphology of PBT/A3 and PBT/A3/GAPA blends were predicted. The results showed that at room temperature the compatibility was best when the plasticizing ratio of 1.4 for the PBT/A3 blends, and the PBT/A3/GAPA (10/2/10 mass ratio) system had the excellent compatibility for PBT/A3/GAPA blends with the olasticizin~ ratio of 1.2.
出处 《上海航天》 2015年第4期63-67,共5页 Aerospace Shanghai
关键词 PBT 增塑剂 分子动力学 介观动力学 相互作用参数 PBT Plasticizers Molecular dynamics Mesoscopic dynamics Interaction parameter
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参考文献13

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