文献类型：期刊文献

英文题名：Computer-aided design of thermosetting benzoxazoles containing bis-endoalkynyl groups: Low melting points and high thermal stability

作者：Zhang, Jiahang[1];Jiang, Zhengtao[1];Zhuang, Qixin[1];Zuo, Peiyuan[1];Liu, Xiaoyun[1]

机构：[1]East China Univ Sci & Technol, Lab Specially Funct Polymer Mat & Related Technol, Minist Educ, Shanghai 200237, Peoples R China

年份：2024

卷号：220

外文期刊名：EUROPEAN POLYMER JOURNAL

收录：;EI(收录号：20244217207963);WOS:【SCI-EXPANDED(收录号:WOS:001336500100001)】；

基金：This work was financially supported by the National Natural Science Foundation of China (22171086, 52373073, and 52073091) .

语种：英文

外文关键词：Thermosetting benzoxazole; Screen method; Thermal stability; Processability; Dielectric property

摘要：High-temperature-resistant polybenzoxazoles (PBOs) have recently become a prominent research area due to their potential applications in aviation and aerospace. However, achieving a balance between thermal stability and processability remains a significant challenge. In this study, a computer-aided method to develop PBOs with high thermal stability and processability is explored. First, thermoset benzoxazoles (CPBOs) are designed using a material genomic approach. Subsequently, their zero shear viscosity, temperature at 50 % thermal weight loss, dielectric constant and dielectric loss are predicted using a computer-aided method. Finally, two screened thermosetting benzoxazoles, CPBO-1 and CPBO-6, are synthesized and experimentally validated. The experiments indicate that their melting points are below 100 degrees C, with the lowest melt viscosities being 0.5 Pa center dot s and 1.5 Pa center dot s, respectively. The corresponding polymers, pCPBO-1 and pCPBO-6, feature high thermal stability. The 5 % weight loss temperature of pCPBO-1 in N2 2 is 618.9 degrees C, while the dielectric constant and dielectric loss are 3.1 and 0.0063, respectively. These are excellent values for thermosetting resins. This computer-aided screening method is more efficient and cost-effective compared to conventional trial-and-error methods.