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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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苯基笼状倍半硅氧烷(TSP-POSS)改性聚氨酯的分子模拟和热性能研究
DOI: 10.11777/j.issn1000-3304.2015.14231, PP. 266-276
Keywords: 分子力学,分子动力学,笼状倍半硅氧烷,聚氨酯,热性能研究
Abstract:
采用分子力学及分子动力学方法,构建了质量百分比分别为0wt%、3.06wt%、6.56wt%、10.13wt%、12.11wt%、15.36wt%和19.87wt%共7种TSP-POSS杂化聚氨酯的分子结构模型,通过对均方位移、径向分布函数、XRD衍射图谱的分析,在分子水平上研究了半笼型TSP-POSS的引入对聚氨酯分子链结构及热性能的影响.结果表明,当TSP-POSS含量低于12.11wt%时,随着TSP-POSS质量分数的增加,分子链之间的平均距离增大,分子间相互作用减小,聚合物分子链的运动性增强;当TSP-POSS含量高于12.11wt%时,TSP-POSS自身会团聚成晶簇,降低了聚合物分子链的运动能力并由无定形聚集状态转变为层状半结晶结构.通过对7种体系的体积-温度函数分析,证明TSP-POSS的引入在一定程度上能显著提高聚氨酯杂化材料的玻璃化转变温度,在一定程度上增强其热稳定性.
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