关键词: 质子交换膜;共混膜;分子动力学;质子电导率

Abstract: To explore the performance of based modified sulfonated poly(ether ether ketone) (SPEEK) membrane for proton exchange membrane fuel cells(PEMFC), the microstructure and proton transfer performance of SPEEK/PVDF-g-PSSA blending membrane were studied.The effect of water content on structural and dynamical characteristics of blending membrane was investigated by molecular dynamics(MD) simulation technique.It was observed that as the water content increase, the number of water clusters and proton conductivities first increase rapidly.When the water content reaches saturation (λm=20), the calculated proton conductivity is 105 mS/cm, which was coincident with the results of experiment (96 mS/cm).When the water contentin creases to greater than the saturation value, the distance between sulfur atoms increases, and proton conductivity tends to be stable.

Key words: To explore the performance of based modified sulfonated poly(ether ether ketone) (SPEEK) membrane for proton exchange membrane fuel cells(PEMFC), the microstructure and proton transfer performance of SPEEK/PVDF-g-PSSA blending membrane were studied.The effect of water content on structural and dynamical characteristics of blending membrane was investigated by molecular dynamics(MD) simulation technique.It was observed that as the water content increase, the number of water clusters and proton conductivities first increase rapidly.When the water content reaches saturation (λm=20), the calculated proton conductivity is 105 mS/cm, which was coincident with the results of experiment (96 mS/cm).When the water contentin creases to greater than the saturation value, the distance between sulfur atoms increases, and proton conductivity tends to be stable.