شماره ركورد كنفرانس :
3256
عنوان مقاله :
Theoretical Study of Hydrogen Bonding in Blend Membranes Based on Sulfonated poly (ether ether ketone)- Sulfonated poly ether sulfone
Author/Authors :
Ghasem Bahlakeh Department of chemical engineering - Amirkabir university of technology , Manouchehr Nikazar Department of chemical engineering - Amirkabir university of technology , Ashor Mohamd Paya Department of chemical engineering - Amirkabir university of technology , Mahdi Tohidian Department of chemical engineering - Amirkabir university of technology , Ahmad Lashgar Department of chemical engineering - Amirkabir university of technology
كليدواژه :
Polymeric blend membrane , Sulfonated poly , ether ether ketone , Sulfonated poly , ether sulfone , Hydrogen bonding , Molecular dynamics simulation
عنوان كنفرانس :
ششمين سمينار پيل سوختي ايران
چكيده لاتين :
Hydrogen bonding characteristics of acid-acid blend membranes based on the sulfonated poly(ether ether ketone) (SPEEK) and sulfonated poly(ether sulfone) (SPES) were investigated under different water content conditions using MD simulations methods. Simulation results have shown that hydrogen bonding interactions were formed between sulfonic acid groups of SPEEK and SPES with water molecules and hydronium ions, and also among water molecules and hydronium ions. With an increase in water content, the number of sulfonic acid-water hydrogen bonds was increased while that of sulfonic acid-hydronium ions was found to decrease. Furthermore, the calculation of water coordination number for water and hydronium ions suggested the formation of hydrogen bond network inside the hydrated structure of SPEEK-SPES blend membrane
