شماره ركورد كنفرانس :
3256
عنوان مقاله :
Modeling Local Structure and Dynamics of Aromatic Sulfonated poly(2,6-Dimethyl-1,4-Phenylene Oxide) Fuel Cell Membranes
Author/Authors :
Ghasem Bahlakeh Department of chemical engineering - Amirkabir university of technology , Manouchehr Nikazar Department of chemical engineering - Amirkabir university of technology , Ahmad Lashgar Department of chemical engineering - Amirkabir university of technology , Hajar Falahati Department of chemical engineering - Amirkabir university of technology , Emadodin Shakeri Department of chemical engineering - Amirkabir university of technology , Mahdi Tohidian Department of chemical engineering - Amirkabir university of technology
كليدواژه :
Fuel cell , Polymer electrolyte membrane , (Sulfonated poly(2,6-dimethyl-1,4- phenylene oxide , SPPO , Modeling
عنوان كنفرانس :
ششمين سمينار پيل سوختي ايران
چكيده لاتين :
MD simulations were used to analyze the structure and dynamics of the solvated sulfonated poly(2,6-dimethyl-1,4-phenylene oxide) membranes with hydration level of λ = 6 at varied temperatures. Obtained simulation results based on the RDF analyses revealed that the backbone of SPPO membranes behaves as hydrophobic at all temperatures. In addition, RDFs of sulfonic acid groups in terms of sulfur and oxygen atoms showed that correlation of sulfonic acid groups remains unchanged with a change in temperature. Finally, it was understood that diffusion coefficients of sulfonic acid groups, hydronium ions and water molecules are enhanced as the operating temperature is increased which can lead to improvement in fuel cell performance of hydrated membrane
