耐高温双马来酰亚胺树脂的分子动力学模拟研究  

Research on Molecular Dynamic Simulation of High Temperature Resistant Bismaleimide Resin

作　　者：杨沛文 张东[2] 杨小平[1] 李刚[1] YANG Peiwen;ZHANG Dong;YANG Xiaoping;LI Gang(National Key Laboratory of Organic-Inorganic Composites,Beijing University of Chemical Technology,Beijing 100029;Aerospace Research Institute of Materials&Processing Technology,Beijing 100076)

机构地区：[1]北京化工大学有机无机复合材料国家重点实验室,北京100029 [2]航天材料及工艺研究所,北京100076

出　　处：《宇航材料工艺》2025年第1期29-36,共8页Aerospace Materials & Technology

摘　　要：基于双马树脂固化反应机理,采用动态原位固化程序分别开发了双马预聚与交联模拟程序,以两步法构建了耐高温双马树脂的分子动力学(MD)模型,并对其模型结构、热机械性能与树脂刚度进行了预测。双马树脂在预聚和交联过程的固化反应转化率以及固化模型密度均与实际值基本吻合,证明了动态原位固化程序实现了实验过程的固化反应;同时,从树脂前驱体到预聚体再到交联模型的模拟固化过程中,树脂模型从高黏性液体状态逐渐向高密度网络结构的固体聚合物状态转变,验证了固化程序的合理性;基于双马树脂固化模型的密度、体积变化率和弹性刚度矩阵预测的玻璃化转变温度和杨氏模量与实验结果接近,证实了此双马树脂模型的可靠性及对双马树脂体系的适配性。Based on the curing mechanism of bismaleimide resin,dynamic in-situ curing programs were developed to simulate the pre-polymerization and crosslinking of bismaleimide,a two steps method was used to construct a molecular dynamic(MD)model of high temperature resistant bismaleimide resin,and predictions were made regarding its model structure,thermomechanical properties,and resin stiffness.The curing reaction conversion rate and the density of the curing model during the pre-polymerization and crosslinking process of bismaleimide resin are consistent with the actual values,proving that the dynamic in-situ curing program achieves the curing program achieved the curing reaction of the experimental process.Meanwhile,during the simulated curing process from resin precursor to per-polymer to crosslinked model,the resin model gradually transitions from a high-viscosity liquid state to a high-density network structure solid polymer state,verifying the rationality of the curing program.The predicted glass transition temperature and Yong’s modulus based on the density,volume change rate,and elastic stiffness matrix of the bismaleimide resin curing model are close to the experimental results,confirming the reliability of the this bismaleimide resin model and its suitability for the bismaleimide resin system.

关 键 词：耐高温双马 分子动力学模拟 动态原位固化程序 转化率 玻璃化转变温度 杨氏模量 

分 类 号：TB332[一般工业技术—材料科学与工程]