کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9632203 | 461762 | 2005 | 14 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Molecular modeling of HMS hybrid materials for CO2 adsorption
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
A series of mesoporous silica models with 3-D periodicity and varying pore diameter (22-33 Ã
) was prepared. The internal surfaces of the mesopores were decorated with silanol functional groups (2-9 OH/nm2). Inorganic-organic hybrid material models were then prepared by the attachment of aminopropylhydroxysilyl grafts at locations that provided the greatest (calculated) energy relief. Analysis and visualisation of the molecular behaviour at the gas-solid interface offer fresh perspectives towards understanding the molecular interactions in these systems. These new insights can help inspire the development of improved synthetic strategies for the preparation of hybrid materials with higher surface N concentrations and, in turn, enhanced CO2 adsorption capacities.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fuel Processing Technology - Volume 86, Issues 14â15, October 2005, Pages 1473-1486
Journal: Fuel Processing Technology - Volume 86, Issues 14â15, October 2005, Pages 1473-1486
نویسندگان
Alan L. Chaffee,