Tez özetleri Astronomi ve Uzay Bilimleri Anabilim Dalı


Adsorption of Humic Acid on Different Adsorbents



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A Structural Analysis Of Liquid AlF3/NaF Mixtures: Theoretical Raman Spectra

In order to study the nature of the liquid phase of AlF3/NaF mixtures numerically we need a computer simulation method which will yield the dynamical properties of the liquid. To get a better description of the liquid structure the potential used in the liquid state simulation calculations  should be transferable between the liquid and solid phases. In this thesis the method of Madden et al. (Castiglione, M.; Wilson, M., Madden, P.A. Phys. Chem. Phys. 1999, 1, 165.) was used within a molecular dynamics calculation to build a suitable potential model which  produces the solid and liquid states. The Al-Al, Al-Na, Al-F and Na-F radial  distribution functions and the coordination numbers of Al3+ ion are obtained for various compositions of the mixtures. By analyzing the diffusion coefficients it was determined that the systems which are not crystalized are in the liquid phase for all compositions.

  In this thesis study the theoretical Raman spectra of liquid Na3AlF6 (Cryolite)  was calculated by computer simulation and the effects of the potential model on the results are examined in detail. The relationship, between the bands appearing in the spectra and the vibrational modes of the AlF6, AlF5 and AlF4 complex ions which are present in these melts, is discussed.

SOFUOĞLU Değer
Danışman : Prof.Dr. Haşim MUTUŞ

Anabilim Dalı : Fizik

Programı : Matematiksel Fizik

Mezuniyet Yılı : 2008

Tez Savunma Jürisi : Prof.Dr. Haşim MUTUŞ

Prof.Dr. Şehsuvar ZEBİTAY

Prof.Dr. K. Gediz AKDENİZ

Prof.Dr. Ali GİRGİN

Prof.Dr. Ömer OĞUZ


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