质子交换膜中质子输送过程的无规行走模拟  

Random walk simulations on proton transport in proton exchange membranes

作　　者：浦鸿汀[1] 崔春涛[1] 

机构地区：[1]同济大学材料学院功能高分子材料研究所,上海200092

出　　处：《膜科学与技术》2005年第2期11-15,共5页Membrane Science and Technology

基　　金：教育部留学回国人员科研启动基金;国家自然科学青年基金资助项目(50103009)

摘　　要：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.Random walk simulations on the process of proton transport in proton exchange membranes were studied. Influences of water content and doping degree were discussed by means of a new model. Proton transport is the outcome of segmental motion and hoping of protons, which were stated in ready experimental reports. The content of two kinds of contributions to proton transport depends on the specified system of proton conductivity. The conductivity was denoted as the two forms in this paper. The results were fairly consistent with experimental results by quantity and half-quantity analysis.

关 键 词：质子交换膜 无规行走 输送过程 聚合物电解质膜 扩散系数 双重作用 链段运动 导电体系 分析比较 模拟结果 含水量 模型 掺杂量 研究所 半定量 格子 跃迁 

分 类 号：TM911.4[电气工程—电力电子与电力传动]