燃料电池阴极扩散层扩散特性研究

In this paper, the diffusion characteristics of the cathode diffusion layer of fuel cell are studied by coarse-grained(CG) molecular dynamics method. The accuracy of the coarse-grained method was verified by the calculation results of the all-atom method, and a quantitative correction scheme was proposed. The diffusion characteristics of gas and water in the gas diffusion layer of carbon nanotubes are analyzed. The diffusion of gas and water is anisotropic. The axial diffusion coefficients of gas and water in carbon nanotubes are lower than radial one, and the coefficient of each molecular also decrease with the decrease of the ratio of that kind of molecular. The study of the gas diffusion layer with defects shows that the morphology of defects in the gas diffusion layer has a significant effect on its diffusion performance.