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گواهی نمایه سازی مقاله Nanoscale Study of Water Adsorption in Nanostructured Adsorbents, Dipole Moment Effects

عنوان مقاله: Nanoscale Study of Water Adsorption in Nanostructured Adsorbents, Dipole Moment Effects
شناسه (COI) مقاله: ICHEC07_457
منتشر شده در هفتمین کنگره ملی مهندسی شیمی در سال ۱۳۹۰
مشخصات نویسندگان مقاله:

Arash Khosravi - School of Chemical Engineering, College of Engineering, University of Tehran, Iran Department of Chemical Engineering, AmirKabir University of Technology, Tehran, Iran
Hamid Modarress - Department of Chemical Engineering, AmirKabir University of Technology, Tehran, Iran
Hossein Dashti - Enhanced Oil Recovery Research Center, Shiraz University, Iran

خلاصه مقاله:
Nanostructured materials can play a prominent role in separation of water from hydrocarbon streams in petroleum industries. A grand canonical Monte Carlo simulation has been carried out to investigate the effect of dipole moment on adsorption of water in zeolites at nanaoscale. The water-water interactions were described using the famous TIP4P and SPC water models. A TrAz form of PN potential functions was used to calculate the water-zeolite interactions. The Ewald summation was applied in the case of coulombic interactions. The framework structures were considered periodic and rigid. Dipole moment of water model was optimized, reaching a good agreement with experiments.

کلمات کلیدی:
GCMC, Adsorption, Nanostructured Adsorbents

صفحه اختصاصی مقاله و دریافت فایل کامل: https://www.civilica.com/Paper-ICHEC07-ICHEC07_457.html