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THERMODYNAMIC MODEL AND STRUCTURE OF As2S3-As2Se3 GLASSES BASED ON THE MCR ANALYSIS OF RAMAN SPECTRA
Authors: Liska Marek | Chromcikova Maria | Holubová Jana | Černošek Zdeněk
Year: 2014
Type of publication: článek v odborném periodiku
Name of source: Ceramics-Silikaty
Publisher name: Vysoká škola chemicko-technologická v Praze
Place: Praha
Page from-to: 95-98
Titles:
Language Name Abstract Keywords
cze Termodynamický model a struktura skel systému As2S3-As2Se3 založené na MCR analýze Ramanových spekter Byla studována Ramanova spektra a struktura šesti skel se složením As2S3-As2Se3 (x = 1; 0.75; 0.667; 0.50; 0.25; 0) a byl navržen alternativní jednoduchý termodynamický model založený na dvou rovnovážných reakcích vedoucích ve struktuře ke dvěma typům směsných pyramid As2S3-xSex (x = 1, 2). Výsledek MCR analýzy Ramanových spekter byl pak interpretován jako úměrná molárním frakcím 4 strukturních komponent As2S3, As2Se3, As2SSe2, and As2S2Se. Struktura skel;rmodynamický model; As2S3; As2Se3;
eng THERMODYNAMIC MODEL AND STRUCTURE OF As2S3-As2Se3 GLASSES BASED ON THE MCR ANALYSIS OF RAMAN SPECTRA Raman spectra and structure of six glasses with the composition of xAs(2)S(3)center dot(1 - x)As2Se3 (x = 1; 0.75; 0.667; 0.50; 0.25; 0) were studied. In our previous work the Raman spectral data were interpreted on the basis of the Shakhmatkin and Vedishcheva thermodynamic model, where the glass was treated as an ideal solution of five components, namely: As2S3, As2Se3, As2S2, AsSe, and Se. The lack of mixed S-Se compounds in the model does not allow the interpretation of the measured spectra taking into account the existence of mixed trigonal pyramids of the Ogle As2S3-xSex. In the present work an alternative simple thermodynamic model was proposed based on two equilibrium reactions leading to formation of two types of mixed As2S3-xSex (x = 1, 2) pyramids. The results of multivariate curve resolution (MCR) analysis of the measured spectra were interpreted as proportional to the molar fractions of four system components: As2S3, As2Se3, As2SSe2, and As2S2Se. Using the nonlinear regression treatment the reaction Gibbs energies were optimized by minimization of the sum of squares of deviation between the MCR data and the equilibrium amounts of the systems components. The equilibrium system composition was calculated at experimentally determined glass transition temperature assuming the ideal behavior. It was found that the optimized values of reaction Gibbs energies fit the MCR data with acceptable accuracy. Glass structure; Thermodynamic model; Arsenic trisulfide; Arsenic triselenide

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