碱性季铵膜中OH-传递及胍基咪唑降解研究-化学工程专业论文.docxVIP

碱性季铵膜中OH。传递及胍基咪唑降解研究Transport 碱性季铵膜中OH。传递及胍基咪唑降解研究 Transport Mechanism of OK in Alkali Quaternary Ammonium Membrane and Degradation of Guanidimidazolium Abstract Anion exchange mernbrane fuel cells fAEⅣ匝Cs)have been e殖ensively investigated in recent years，due to their advantages such as low fuel permeation，facile oxygen reduction reaction in alkaline medium，convenient water management,and the usability of non．noble metal catalyst．Anion exchange membrane,as the key component of AEⅣ匝CS,its low conductivity and poor chemical stability in high‘pH solution has limited further application of AE～伍Cs in many fields．赴f研these issues,many encouraging progresses have been achieved in recent years Via experimental measures．However．there are not enough literatures on hydroxide ions transport mechanism in AEM and the ionic groups degradation mechanism． For that reason，researchers couldn’t primarily design the superior anion exchange groups and the polymer structure with high ionic conductivity．In the present study．the DFr calculation was applied to investigate the hydroxide ions transport mechanism in AEM based on quaternary ammonium functionalized polystyrene(QAP S-0均which coupled with 0H’and the degradation reaction mechanism of novel Guanidimidazolium ion in alkaline solution． Based on the above ideas，this thesis includes the following main contents： (1)Hydroxide ions transport mechanism in QhPS—AEM was smdied by density functional theory(DFr)。There were two processes about the minimum energy path of OH． transport in QhPS-AEM．The first process was the transport of 0H in water channel via the forming and Neaking of continuous hydrogen bonds(H-bonds)line in H—bonds network．The second process was that OH’traversed across quaternary ammonium(QA)groups by following the rotation about C-CH2 sin#bond．which was the rate determining step南r OH- transport in QAPS—AEM We also concluded that the water surroundings could reduce the rotation potential energy barriers．whne the weak connectivit