Thermodynamic model and Raman spectra of ZnO–P2O5 glasses

Liška, Marek; Lissová, Magdaléna; Plško, Alfonz; Chromčíková, Mária; Gavenda, Tadeáš; Macháček, Jan

doi:10.1007/s10973-015-4563-7

Cited by 14 publications

(8 citation statements)

References 17 publications

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“…the glass transition temperature of binary zinc phosphate glass – glass No.1 in the Table 2) can be compared with the G m values calculated by the Eq. (2) from the

{normalΔ}_{normalr} G_{normalm}

values reported in 28 . Such way for Z2P −2.66 MJ/mol was obtained from Table 3 and −2.47 MJ/mol from

{normalΔ}_{normalr} G_{normalm}

, for ZP −2.15 MJ/mol and −2.05 MJ/mol was obtained, and for ZP2 −3.75 MJ/mol and −3.65 MJ/mol was obtained.…”

Section: Resultsmentioning

confidence: 67%

“…For binary zinc‐phosphates the molar Gibbs energies summarized in Table 3 can be compared with data published in 28 . In this paper, the ZnO‐P 2 O 5 SVTDM was parameterized supposing the temperature independent reaction Gibbs energies

{normalΔ}_{normalr} G_{normalm}

of formation of zinc‐phosphate compounds that cannot be found in the FACT database.…”

Section: Resultsmentioning

confidence: 99%

“…The multivariate curve resolution (MCR) method 19,26‐28 decomposes the set of experimental Raman spectra in the spectra of pseudo pure components (called loadings) and relative abundances of these components (called scores). It is essential to emphasize that MCR does not use any data of the system composition.…”

Section: Methodsmentioning

confidence: 99%

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Thermodynamic model of ZnO‐Nb₂O₅‐P₂O₅ glasses – parameterization and validation

Liška¹,

Macháček

Chromčíková³

et al. 2021

Int J of Appl Glass Sci

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On the basis of experimental structural data ten system components were considered in the ZnO‐Nb2O5‐P2O5 thermodynamic model of Shakhmatkin and Vedishcheva – ZnO, Nb2O5, P2O5, ZnP4O11, Zn(PO3)2, Zn2P2O7, Zn3(PO4)2, NbO(PO3)3, (NbO)4(P2O7)3, and NbOPO4. The molar Gibbs energies of ZnO, Nb2O5, P2O5, and Zn3(PO4)2 were taken from the FACT database. The unknown Gibbs energies of the other components were estimated by minimizing the sum of squares of deviations between the calculated and measured equilibrium molar amounts of system components for the series xNb2O5·50ZnO·(50‐x)P2O5. The model was validated by the Multivariate Curve Resolution (MCR) and Malfait's analysis of Raman spectra of xNb2O5·(50‐x)ZnO·50P2O5 glasses. The MCR analysis performed for three components resulted in loadings that were in acceptable coincidence with partial Raman spectra obtained by Malfait's decomposition. Both the MCR and the Malfait's decomposition reproduced the experimental Raman spectra very well ‐ on the level of experimental error.

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“…the glass transition temperature of binary zinc phosphate glass – glass No.1 in the Table 2) can be compared with the G m values calculated by the Eq. (2) from the

{normalΔ}_{normalr} G_{normalm}

values reported in 28 . Such way for Z2P −2.66 MJ/mol was obtained from Table 3 and −2.47 MJ/mol from

{normalΔ}_{normalr} G_{normalm}

, for ZP −2.15 MJ/mol and −2.05 MJ/mol was obtained, and for ZP2 −3.75 MJ/mol and −3.65 MJ/mol was obtained.…”

Section: Resultsmentioning

confidence: 67%

{normalΔ}_{normalr} G_{normalm}

of formation of zinc‐phosphate compounds that cannot be found in the FACT database.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Thermodynamic model of ZnO‐Nb₂O₅‐P₂O₅ glasses – parameterization and validation

Liška¹,

Macháček

Chromčíková³

et al. 2021

Int J of Appl Glass Sci

Self Cite

View full text Add to dashboard Cite

show abstract

“…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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“…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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Thermodynamic model and Raman spectra of ZnO–P2O5 glasses

Cited by 14 publications

References 17 publications

Thermodynamic model of ZnO‐Nb₂O₅‐P₂O₅ glasses – parameterization and validation

Thermodynamic model of ZnO‐Nb₂O₅‐P₂O₅ glasses – parameterization and validation

Structure and Raman spectra of binary barium phosphate glasses

Thermodynamic model and Raman spectra of MgO–P2O5 glasses

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Thermodynamic model and Raman spectra of ZnO–P2O5 glasses

Cited by 14 publications

References 17 publications

Thermodynamic model of ZnO‐Nb2O5‐P2O5 glasses – parameterization and validation

Thermodynamic model of ZnO‐Nb2O5‐P2O5 glasses – parameterization and validation

Structure and Raman spectra of binary barium phosphate glasses

Thermodynamic model and Raman spectra of MgO–P2O5 glasses

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Product

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Thermodynamic model of ZnO‐Nb₂O₅‐P₂O₅ glasses – parameterization and validation

Thermodynamic model of ZnO‐Nb₂O₅‐P₂O₅ glasses – parameterization and validation