Structures and Raman Spectras of Molten MCl3 (M=Al, La,Y) systems

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Hunca B.

CCP5 Summer School 2010 , Belfast, İngiltere, 18 - 27 Temmuz 2010, ss.1, (Özet Bildiri)

  • Yayın Türü: Bildiri / Özet Bildiri
  • Basıldığı Şehir: Belfast
  • Basıldığı Ülke: İngiltere
  • Sayfa Sayıları: ss.1
  • Trakya Üniversitesi Adresli: Hayır

Özet

In this work we studied the structure and theoretical Raman spectras of the MX3 systems. Firstly we determined the parameters of interaction potentials between ions by evaluating the results of experimental work done on molten AlCl3. In addition, transferred potential parameters were obtained for solid-liquid phases by examining the optimization for the potentials of crystal structures in detail. With the use of molecular dynamics program where an appropriate potential model is used, structure, transport properties and theoretical Raman spectra calculations have been done in the liquid phase of the systems of interest.