文献类型：期刊文献

英文题名：Computer-Aided Screening of Benzoxazines with High Thermal Stability and Good Processability

作者：Zhang, Yunyao[1];Liu, Xiaoyun[1];Yang, Rui[1];Zhuang, Qixin[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：2023

卷号：5

期号：7

起止页码：5036

外文期刊名：ACS APPLIED POLYMER MATERIALS

收录：;EI(收录号：20232714340609);WOS:【SCI-EXPANDED(收录号:WOS:001009586400001)】；

基金：This work was financially supported by the National Natural Science Foundation of China (22171086, 52073091, and 51773060) and the Shanghai Natural Science Foundation (20ZR1414600).

语种：英文

外文关键词：benzoxazine; screen method; thermal stability; processability; melting point; zero-shear viscosity

摘要：High-temperature-resistant benzoxazines have emergedas one ofthe research hotspots in recent years due to their potential applicationsin the aviation and aerospace. However, the development of benzoxazineswith high thermal stability and good processability is most challenging.The current study proposes an effective method to develop benzoxazineswith high thermal stability and processability. Different benzoxazineswere analyzed for their heat resistance, processability, and curingperformance following their design. Subsequently, they were screenedbased on their zero-shear viscosity and 5% thermal weight loss temperature(Td(5)). The compounds were then synthesized and experimentallyvalidated. This method was then used to screen for benzoxazine PH-[3]-dwith high thermal stability and good processability. Accordingly,the melting point, zero-shear viscosity, and Td(5) of PH-[3]-dwere 65 degrees C, 84 Pa center dot s, and 529.1 degrees C, respectively. Themethod proposed in this study involves high-throughput design, propertyprediction, and computer-aided screening. Compared with traditionaltrial-and-error approaches, this method can promote the research ofhigh-performance thermosetting polymer materials with higher efficiencyand lower cost.