کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7713597 | 1497428 | 2015 | 14 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Molecular dynamics simulation study of carboxylated and sulfonated poly(arylene ether sulfone) membranes for fuel cell applications
ترجمه فارسی عنوان
مطالعه شبیه سازی دینامیکی مولکولی از غشاهای پراکسی (کربوکسیل) و سولفونیک پلی (آرویلن اتر سولفون) برای کاربردهای سلول سوختی
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
الکتروشیمی
چکیده انگلیسی
The performance of poly(arylene ether sulfone) as a proton exchange membrane, for application in a fuel cell, such as carboxylic acid side chain effects on the structural and dynamical properties have been studied by molecular dynamics simulation at 353Â K. Different percentage of carboxylated monomer were simulated and the radial distribution function, water cluster size and mean square displacement were evaluated. The results showed that monomer carboxylation up to 10%, decreased the conductivity according to vehicular mechanism and then at 15% of monomer carboxylation the conductivity increased. Also, the greatest water clusters were formed at 15% carboxylated monomer and the increase in acidic sites made the polymer more hydrophilic. In addition, the diffusion and solubility of the gases, O2 and H2, into the membrane were studied and the results indicated that H2 has a higher diffusion coefficient than O2 and the diffusion phenomenon has a determining effect on the performance of proton exchange membrane.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Hydrogen Energy - Volume 40, Issue 45, 7 December 2015, Pages 15690-15703
Journal: International Journal of Hydrogen Energy - Volume 40, Issue 45, 7 December 2015, Pages 15690-15703
نویسندگان
Fatemeh Khodaparast-Kazeroonian, Sepideh Amjad-Iranagh, Hamid Modarress,