화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2016년 봄 (05/02 ~ 05/04, 여수 엑스포 컨벤션)
권호 20권 1호
발표분야 에너지저장변환_포스터
제목 Molecular dynamics simulations of modified PEEK polymeric membrane for fuel cell application  
초록 In this study, we synthesize a novel poly(ether ether ketone) (PEEK) polymer with sulfonic acid and ammonium moiety, and then tested the properties of the polymeric membrane for fuel cell applications. Furthermore, we investigate the effect of the functional groups on the hydronium and hydroxide ions in hydrated PEEK using molecular dynamics simulations using the COMPASS force field. The amount of functional group is controlled to be from 0 to 40 mol% in both the simulation and experimental processes.  
저자 김득주1, 박치훈2, 남상용1
소속 1경상대, 2경남과학기술대
키워드 Molecular Dynamic Simulation; PEEK membrane; Diffusivity; IEC value
E-Mail