Developing Highly Tough, Heat-Resistant Blend Thermosets Based on Silicon-Containing Arylacetylene: A Material Genome Approach
Developing Highly Tough, Heat-Resistant Blend Thermosets Based on Silicon-Containing Arylacetylene: A Material Genome Approach
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DOI：
10.1021/acsami.0c06292
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发表时间：
2020-06-17
影响因子：
9.5
通讯作者：
Chu, Ming
中科院分区：
文献类型：
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作者：
Gao, Guanru;Zhang, Songqi;Chu, Ming
含硅芳基乙炔（PSA）树脂具有优异的耐热性，但其脆性限制了其应用。我们建议使用乙炔封端的聚酰亚胺（ATPI）作为添加剂，以提高PSA树脂的韧性，并保持优异的耐热性。首次建立了材料基因组方法（MGA），用于设计和筛选乙炔端基聚酰亚胺，并利用该方法筛选出一种聚酰亚胺ATPI。合成了ATPI，并将其与PSA树脂共混，以提高热固性材料的韧性。考察了ATPI的加入量和预聚温度对聚合物性能的影响。结果表明，共混树脂具有良好的耐高温性能和优异的力学性能。通过分子动力学模拟研究了韧性提高的机理。本工作为高性能聚合物材料的快速设计和筛选提供了一种方法。
Silicon-containing arylacetylene (PSA) resins exhibit excellent heat resistance, yet their brittleness limits the applications. We proposed using acetylene-terminated polyimides (ATPI) as an additive to enhance the toughness of the PSA resins and maintain excellent heat resistance. A material genome approach (MGA) was first established for designing and screening the acetylene-terminated polyimides, and a polyimide named ATPI was filtered out by using this MGA. The ATPI was synthesized and blended with PSA resins to improve the toughness of the thermosets. Influences of the added ATPI contents and prepolymerization temperature on the properties were examined. The result shows that the blend resin can resist high temperature and bear excellent mechanical properties. The molecular dynamics simulations were carried out to understand the mechanism behind the improvement of toughness. The present work provides a method for the rapid design and screening of high-performance polymeric materials.