Thermodynamic model and Raman spectra of CaO–P2O5 glasses

Chromčíková, Mária; Liška, Marek; Zemanová, Vladimíra; Plško, Alfonz; Hruška, Branislav; Gavenda, Tadeáš

doi:10.1007/s10973-015-4515-2

Cited by 8 publications

(6 citation statements)

References 20 publications

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“…The validity of the model has to be confirmed by the comparison of its results with the available structural data [13][14][15][16]. In our previous work [16][17][18][19], we showed that the statistical analysis of the compositional and temperature series of Raman spectra validated the SVTDM thermodynamic model for the Na 2 O-B 2 O 3 , CaO-P 2 O 5 , and ZnO-P 2 O 5 binary glass systems. The main aim of this work is to produce a thermodynamic model to describe the structure for the BaO-P 2 O 5 binary glasses.…”

Section: Introductionmentioning

confidence: 79%

Structure and Raman spectra of binary barium phosphate glasses

Hruška

Dagupati

Chromčíková

et al. 2020

J Therm Anal Calorim

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The structure of xBaO·(1 − x) P 2 O 5 (x = 0.30, 0.35, 0.40, 0.45, and 0.50) glasses was studied by Raman spectroscopy and thermodynamic model Shakhmatkin and Vedishcheva (SVTDM). The seven system components (defined as stable crystalline phases of the BaO-P 2 O 5 binary phase diagram) were considered in the SVTDM: BaO, P 2 O 5 , 4BaO·P 2 O 5 (B4P), 3BaO·P 2 O 5 (B3P), 2BaO·P 2 O 5 (B2P), BaO·P 2 O 5 (BP), and BaO·2 P 2 O 5 (BP2). Only the equilibrium molar abundances of BP and BP2 were non-negligible in all studied glass compositions. Therefore, in the next step, multivariate curve analysis (MCR) of the baseline-subtracted, thermally-corrected experimental Raman spectra, was performed for two components (BP2 and BP). MCR resulted in the Raman spectra (loadings) and relative abundances (scores) of each considered component. The MCR method reproduced 98.93% of the spectral data variance. Then, the decomposition of Malfait was used. The perfect fit between the MCR loadings and the partial Raman spectra of BP2 and BP, obtained by Malfait's decomposition, was found, confirming the validity of thermodynamic model.Publisher's Note Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

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Section: Introductionmentioning

confidence: 79%

Structure and Raman spectra of binary barium phosphate glasses

Hruška

Dagupati

Chromčíková

et al. 2020

J Therm Anal Calorim

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“…On the other hand, the model has to be checked by the comparison of its results with the structural data for various glasses and melts [17][18][19][20][21]. In our previous work [20,[22][23][24] we showed that the statistical analysis of the Raman spectra validated the TDM-SV for the Na 2 O-B 2 O 3 , CaO-P 2 O 5 , and ZnO-P 2 O 5 binary glass systems. The main aim of this work is to confirm the validity of the model by the analysis of Raman spectra of compositional series of Mg-P 2 O 5 binary glasses.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic model and Raman spectra of MgO–P2O5 glasses

Hruška

Dagupati

Chromčíková

et al. 2020

J Therm Anal Calorim

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The structure of binary glasses xMgO·(1−x)P2O5 (x = 0.30, 0.35, 0.40, 0.45, 0.50, and 0.55) was studied by thermodynamic model (TDM) of Shakhmatkin and Vedishcheva (SV) and Raman spectroscopy. In the TDM, six following system components were considered: MgO (M), P2O5 (P), MgO·2P2O5 (MP2), MgO·P2O5 (MP), 2MgO·P2O5 (M2P), 3MgO·P2O5 (M3P). The principal component analysis (PCA) of experimental Raman spectra resulted in three independent components. The baseline subtracted and thermally corrected Raman spectra were analyzed by the multivariate curve analysis (MCR) for three components. The MCR resulted in the Raman spectra and relative abundance of each component. The experimental spectra were reproduced by the MCR on the level of 99.9%. Correlation analysis attributed the MCR components to M2P, MP, and MP2. Then the Malfait’s decomposition was performed based on the TDM-SV equilibrium molar amounts of system components (MP2, MP, and M2P) resulting in partial Raman spectra (PRS). Normalized MCR loadings coincide with normalized PRS. Adjusted scores were reproduced with good accuracy equilibrium molar amounts of system components.

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“…Most examples of calculations can be notably found in various papers by Vedishcheva and co-workers and more recently by Liska and co-workers in phosphate glasses. [7][8][9] In the present paper, the concept of chemical structure is reviewed for a description of the structure and properties of glasses in silicate, borate, and phosphate systems that were not considered before. They have been chosen due to the fact that they are characterized by different acidity and basicity of their oxide components.…”

Section: Introductionmentioning

confidence: 99%

Chemical approach to the glass structure and properties

Vedishcheva

López‐Grande

Muñoz

2022

Int J of Appl Glass Sci

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This paper continues the series of works by the present authors on the modeling of glass structure and properties. Calculations are performed using the concept of the chemical structure based on the rigorous thermodynamic model of associated solutions. The aim of the present contribution is to demonstrate the applicability of the concept to a wider range of systems than that considered before. For this reason, glasses in the systems with different chemical natures determined by the acidity and basicity of the constituent oxides are considered. The glass structure is calculated at the level of the short-range order in the systems BaO-SiO 2 and M 2 O(MO)-P 2 O 5 (M = Li, Na, and Zn) and the intermediate-range order in the systems Rb 2 O-B 2 O 3 and Cs 2 O-B 2 O 3 . The structure-property relationship is quantitatively established by the example of the molar volume of BaO-SiO 2 glasses. All calculations are performed without the use of adjustable parameters and the results obtained are compared with the experimental data available in the literature.

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Thermodynamic model and Raman spectra of CaO–P2O5 glasses

Cited by 8 publications

References 20 publications

Structure and Raman spectra of binary barium phosphate glasses

Structure and Raman spectra of binary barium phosphate glasses

Thermodynamic model and Raman spectra of MgO–P2O5 glasses

Chemical approach to the glass structure and properties

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