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العنوان
Using density function theory for experimental studies of inorganic materials filled some polymers /
المؤلف
EL-Said, Mohamed Mostafa Hassanien.
هيئة الاعداد
باحث / محمد مصطفى حسانين السيد
مشرف / محروص شاكر ميخائيل
مشرف / المتولى محمود عبدالرازق
مشرف / عمرو محمد عبدالغنى
الموضوع
Polymers - Thermomechanical properties. Polymer-impregnated concrete.
تاريخ النشر
2015.
عدد الصفحات
140 p. :
اللغة
الإنجليزية
الدرجة
ماجستير
التخصص
الفيزياء وعلم الفلك
تاريخ الإجازة
01/01/2015
مكان الإجازة
جامعة المنصورة - كلية العلوم - Department of Physics
الفهرس
Only 14 pages are availabe for public view

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Abstract

The present study includes preparation and characterization of some inorganic materials filled polyvinylpyrrolidone (PVP). In first system, polyvinyl pyrrolidone (PVP) polymeric matrix doped with nano-particles of two nobel metals, namely, (silver and gold) were prepared via simple casting technique. Combined DFT–FTIR data were used for investigation of the type of interaction. Both DFT calculations and FTIR experimental results shows the persistence of the characteristic bands of polymeric network in their positions while pyrrolidinone adsorbed both silver and gold colloid surfaces preferably via the non-bonding electrons of the carbonyl group. UV/Vis absorbance spectra were employed to calculate the optical energy gap of pristine and doped samples. In second system, nano-crystals of CdS, PbS and ZnS were successfully in-situ prepared and used as a dopant in polyvinyl pyrrolidone (PVP) polymeric matrix via simple casting technique. Prepared samples examined theoretically using density functional theory (DFT) and experimentally through combined Fourier transform infrared (FTIR) and (UV/Vis) spectroscopy. DFT calculations and FTIR experimental results shows the persistence of the characteristic bands of polymeric network in their positions while pyrrolidinone ring adsorbed CdS, PbS and ZnS surfaces preferably via the non-bonding electrons of the carbonyl group. UV/Vis experimental data was employed to calculate the optical energy gap of virgin and doped polymeric matrix. Optical band gap and particle size were calculated and is in agreement with the results obtained from Transmission electron microscopy (TEM). The prepared spherical nano-crystals were found to be uniformly distributed within PVP matrix.