Epoxy thermoset resins are widely used in industry due to their favorable thermomechanical properties. These properties depend strongly on the resin network topology formed during cure. In the past, there has been significant work to develop methodologies that simulate the cure process to predict the thermoset network topology and the properties of that network. However, very few of these simulations include anything more than a distance based criteria when determining which species in the simulation will bond. In this work, we show the importance of including additional bonding criteria based on the reaction kinetics for the system of interest. We simulate the cure of a model epoxy resin system, DGEBF and 44DDS, where the relative reaction rates, k₂/k₁, of epoxy-primary amine, and epoxy-secondary amine reactions are systematically varied to investigate the effect of competitive primary and secondary amine reactivity on the development of network structure and properties.

环氧热固性树脂由于其良好的热机械性能而在工业中被广泛使用。这些性能很大程度上取决于固化过程中形成的树脂网络拓扑。过去，在开发模拟固化过程以预测热固性网络拓扑和该网络特性的方法方面，进行了大量工作。但是，在确定模拟中的哪些种类会结合时，除了基于距离的标准外，这些模拟中几乎没有其他内容。在这项工作中，我们显示了基于目标系统的反应动力学包括其他键合标准的重要性。我们模拟环氧树脂模型DGEBF和44DDS的固化，其中相对反应速率k ₂ / k ₁环氧伯胺的环氧反应，环氧伯胺的反应和系统发生变化，以研究竞争性伯胺和仲胺反应性对网络结构和性能发展的影响。