Non-covalent modification of fillers with hyperdispersants in composite processing avoids destroying the regular structure of the filler and is simpler and easier to operate than ordinary surface modification methods. A novel hyperdispersant, GI-g-PHA, was synthesized by esterification of poly12-hydroxystearic acid (PHA) and glycerol (GI) to improve the thermal conductivity (TC) and tensile properties of natural rubber (NR)/boron nitride (BN) composites. After the addition of 5 wt% hyperdispersant, the thermal conductivity of 20 vol% and 25 vol% BN composites was 0.965 W/mK and 1.364 W/mK, respectively, which was 9.6 and 13.6 times higher than that of NR matrix (0.1 W/mK). Molecular dynamics simulations showed an increase in molecular binding energy and a decrease in free volume fraction after the addition of dispersant, which provided a microscopic explanation for the change in compatibility. This study provides a way to prepare polymer matrix composites with high thermal conductivity and high strength.

中文翻译：

---

超分散剂改性BN填充天然橡胶导热复合材料的制备及分子模拟


在复合加工中，使用超分散剂对填料进行非共价改性避免了破坏填料的规则结构，并且比普通的表面改性方法更简单、更易于操作。通过聚 12-羟基硬脂酸 （PHA） 和甘油 （GI） 的酯化反应合成了一种新型超分散剂 GI-g-PHA，以改善天然橡胶 （NR）/氮化硼 （BN） 复合材料的导热系数 （TC） 和拉伸性能。添加 5 wt% 超分散剂后，20 vol% 和 25 vol% BN 复合材料的热导率分别为 0.965 W/mK 和 1.364 W/mK，分别是 NR 基体 （0.1 W/mK） 的 9.6 倍和 13.6 倍。分子动力学模拟显示，添加分散剂后，分子结合能增加，自由体积分数降低，这为相容性的变化提供了微观解释。本研究提供了一种制备高导热性和高强度聚合物基复合材料的方法。