Information Technology in Development of Solid Polymer Electrolyte Fuel Cells

Abstract

The proton-conducting hybrid organic-inorganic composites based on tetraethoxysilane and sulfonated styrene (St) and allyl glycidyl ether (AGE) copolymers, which are characterized by high exchange capacity and specific conductivity, are formed by sol-gel synthesis. The results of a quantum-chemical calculations of the geometry of the structure of an organic-inorganic composite (for a model consisting of 78 atoms) allow us to associate an increase in the proton conductivity of hybrid membranes, compared with the initial copolymer, with the generation of crystallization water and free sulfuric acid during the formation of the composite.