模拟了质子在聚合物电解质膜中的输送过程.借助无规行走模型研究了质子交换膜中含水量、酸掺杂量等因素对质子输送扩散系数的影响.本研究所建立的模型利用改变格子上组分的分布来考虑质子交换膜体系的实际变化.已有资料表明质子在膜中输送是链段运动输送和质子跃迁双重作用的结果,二者的贡献大小取决于具体质子导电体系的种类,本模型用格子重组和无规行走描述了这两种贡献.通过定性和半定量的分析比较,模拟结果较好地符合实验得出的结论.
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