硅橡胶硫化反应场的数值模拟

Numerical Simulation of Vulcanization Field of Silicone Rubber

以化学反应动力学原理为基础 ,实验确定了硅氢加成反应的动力学模型 ;引入了硫化率增量的概念 ,获得了全量硫化率和硫化率增量的数值计算式 ;根据统计理论 ,获得了起始分子无规分布时的交联结构参数的数值计算式 ;介绍了非稳态硫化反应场的有限元模拟步骤 .在此基础上 ,设计了硅橡胶硫化反应过程的有限元模拟软件 ;应用该软件 ,根据输入的初边值条件 ,可计算任一空间点在任一时刻的交联反应参数和交联结构参数 ,进而可预测制品性能、优化反应参数 ,或优化设计高分子材料 .最后给出了一个典型算例 ,并实验验证了该模拟理论及算法的合理性 .

Based on chemical reaction kinetics, the kinetic model of hydrosilation is determined by experiment. The definition of increment of vulcanization ratio is introduced, so the numerical computation expression of fulldose of vulcanization ratio is obtained. According to statistical theory, the numerical computation expressions of various parameters of crosslinking structure are derived, while the original molecules are distributed in Flory manner. The simulation procedures of unstable vulcanization field are introduced. On this basis, the numerical simulation software of vulcanization process of silicone rubber is designed. Adopting the software, according to initial condition and boundary condition, the specific values of various parameters of crosslinking reaction and structure on any point in vulcanization field can be calculated at any time. Thereby, the properties of products can be forecasted and the reaction parameters can be optimized, or the original polymeric material can be optimized. Finally, the rationality of the simulation theory and algorithm is verified by one typical example and its hardness test.