کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9567246 1503711 2005 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Periodic density functional investigation of Lewis acid sites in zeolites: relative strength order as revealed from NH3 adsorption
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Periodic density functional investigation of Lewis acid sites in zeolites: relative strength order as revealed from NH3 adsorption
چکیده انگلیسی
Different types of cationic species acting as Lewis acid sites as well as Na-counter ion in dealuminated zeolites are investigated, for the first time, using periodic density functional method. The energy of ammonia adsorption is taken as a measure for the acidity. The results reveal that the relative strength of the investigated active sites increases in the order: Na+ < Al(OH)2+ < AlO+ < Si+. Moreover, the interaction of NH3 with tri-coordinated aluminum dislodged in the framework is less favorable than that with the neighboring silicon ion.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 246, Issues 1–3, 15 June 2005, Pages 96-101
نویسندگان
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