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Degradation of guanidinium-functionalized anion exchange membrane during alkaline environment
Authors:Weiwei Li  Shubo Wang  Xuefei Zhang  Wenping Wang  Xiaofeng Xie  Pucheng Pei
Affiliation:1. Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084, China;2. State Key Laboratory of Automotive Safety and Energy, Tsinghua University, Beijing 100084, China;3. Beijing Key Lab of Fine Ceramics, Tsinghua University, Beijing 100084, China
Abstract:A guanidinium-functionalized anion exchange membrane (AEM) was prepared and characterized. The AEM stability in an alkaline environment and transition structures during the degradation process were studied with DFT (density functional theory)/B3LYP method, 6-31 + G (d) basis set. Experimental results and theoretical analysis showed that the second step (Step 2′) of degradation reaction was the control procedure; guanidinium cation was unstable under alkaline condition. It had lower energy barriers, which decided it was easier for the degradation reaction to occur in high pH environment. The ionic conductivity of AEM was 2.4 × 10−2 S cm−1 at 80 °C. However, the AEM soaked in 1 M NaOH solution, fragments were found after 10 days. The FTIR analysis showed that the structure of the membrane had been changed due to the attack of hydroxide ion. A new substance, tetramethylurea, had produced.
Keywords:Density functional theory   Guanidinium   Functionalized   Anion exchange membrane   Fuel cell
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