The electrolyte membrane bulk and the four-phase interface itself are responsible for the transport of active materials such as protons, oxygen, and hydrogen, and control them as functions at the molecular level. Therefore, further enhancement of performance, high durability, thinning, and cost reduction of the electrolyte membrane and the four-phase interface are major issues for further practical application and popularization. Therefore, we will establish a technology to predict proton, hydrogen, and oxygen transport coefficients of polymer electrolyte membranes and evaluate their mechanical properties rapidly by all-atom MD simulation, and design a high-performance electrode interface from the microscopic mechanism of material transport at the fuel cell interface, and transfer the technology to companies.

①Establishment of analytical technology for proton, oxygen, and hydrogen transport in a mesoscale electrolyte membrane model (MODYLAS)