侧链结构对聚醚醚酮阴离子交换膜电化学性能的影响

构建了碱性聚电解质分子/水/OH‒混合体系，通过粗粒化分子动力学模拟探讨了接枝度、侧链长度对水分布与离子传输的影响， 系统地研究侧链效应对离子传导的调控机制及对碱稳定性的影响。 模拟结果表明， 为构建供氢氧根传输的连续水通道， GD 不宜低于 60%，在较低接枝度(<40%)时水通道则难以联通。

A mixed system of alkaline polyelectrolyte molecules/water/OH⁻ was constructed. The effects of grafting degree (GD) and side chain length on water distribution and ion transport were investigated via coarse-grained molecular dynamics simulations, and the regulatory mechanism of side chain effects on ion conduction and their impact on alkaline stability were systematically studied. The simulation results indicate that to build continuous water channels for hydroxide ion transport, the GD should not be lower than 60%; the water channels are difficult to interconnect at a low grafting degree (<40%).