Skip to main content
SpringerLink
Log in

Thermodynamic model and Raman spectra of CaO–P2O5 glasses

  • Published:
Journal of Thermal Analysis and Calorimetry Aims and scope Submit manuscript

Abstract

The structure of glasses of the binary system CaO–P2O5 was investigated by the comparison of the results of the thermodynamic model of Shakhmatkin and Vedishcheva constructed using the molar Gibbs energies obtained from the FACT database with the results obtained by the analysis of Raman spectra of xCaO·(100 − x)P2O5 (x = 35, 40, 45, 50, 55) glasses performed by the principal component analysis (PCA) method and spectral decomposition by the method of Malfait. The PCA method identified three independent components in the studied spectral series. On the other hand, the thermodynamic modeling resulted in three components with significant abundance in the studied glasses, i.e., P2O5, CaP2O6, and Ca2P2O7. Using the method of Malfait, partial Raman spectra of P2O5, CaP2O6, and Ca2P2O7 were calculated. The experimental spectra were reproduced with very good accuracy. The multivariate curve resolution (MCR) method was used for the analysis of the experimental spectra. It was found that MCR loadings are practically identical with the partial Raman spectra obtained from the results of thermodynamic model by the method of Malfait. All the obtained results confirmed the structural information acquired from the thermodynamic model.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6

Similar content being viewed by others

References

  1. Rao KJ. Structural chemistry of glasses. Amsterdam: Elsevier; 2002.

    Google Scholar 

  2. Varshneya AK. Fundamentals of inorganic glasses. Sheffield: Society of Glass Technology; 2006.

    Google Scholar 

  3. Brow RK. Review: the structure of simple phosphate glasses. J Non Cryst Solids. 2000;263&264:1–28.

    Article  CAS  Google Scholar 

  4. Roiland C, Fayon F, Simon P, Massiot D. Characterization of the disordered phosphate network in CaO–P2O5 glasses by 31P solid state NMR and Raman spectroscopies. J Non Cryst Solids. 2011;357:1636–46.

    Article  CAS  Google Scholar 

  5. Serena S, Carbajal L, Sainz AM, Caballero A. Thermodynamic assessment of the system CaO–P2O5: application of the ionic two-sublattice model to glass-forming melts. J Am Ceram Soc. 2011;94:3094–103.

    Article  CAS  Google Scholar 

  6. Putlyaev VI, Safronova TV. A new generation of calcium phosphate biomaterials: the role of phase and chemical compositions. Glass Ceram. 2006;63:99–102.

    Article  CAS  Google Scholar 

  7. Kokubo T, editor. Bioceramics and their clinical applications. Cambridge: Japan Medical Materials, Woodhead Publishing Ltd. and CRC Press; 2008.

    Google Scholar 

  8. Shakhmatkin BA, Vedishcheva NM, Shultz MM, Wright AC. The thermodynamic properties of oxide glasses and glass-forming liquids and their chemical structure. J Non-Cryst Solids. 1994;177:249–56.

    Article  CAS  Google Scholar 

  9. Vedishcheva NM, Shakhmatkin BA, Shultz MM, Wright AC. The thermodynamic modelling of glass properties: a practical proposition? J Non-Cryst Solids. 1996;196:239–43.

    Article  CAS  Google Scholar 

  10. Shakhmatkin BA, Vedishcheva NM, Wright AC. Can thermodynamics relate the properties of melts and glasses to their structure? J Non-Cryst Solids. 2001;293–295:220–36.

    Article  Google Scholar 

  11. Vedishcheva NM, Shakhmatkin BA, Wright AC. Thermodynamic modelling of the structure of glasses and melts: single-component, binary and ternary systems. J Non-Cryst Solids. 2001;293–295:312–7.

    Article  Google Scholar 

  12. Vedishcheva NM, Shakhmatkin BA, Wright AC. The structure of sodium borosilicate glasses: thermodynamic modelling vs. experiment. J Non-Cryst Solids. 2004;345&346:39–44.

    Article  CAS  Google Scholar 

  13. Shakhmatkin BA, Vedishcheva NM, Wright AC. Thermodynamic modelling of the structure of oxyhalide glasses. J Non-Cryst Solids. 2004;345&346:461–8.

    Article  CAS  Google Scholar 

  14. Liška M, Chromčíková M. Thermal properties and related structural and thermodynamic studies of oxide glasses. In: Šesták J, Holeček M, Málek J, editors. Glassy, amorphous and nano-crystalline materials: thermal physics, analysis, structure and properties, Chapter 11. New York: Springer; 2011. p. 179–97.

    Google Scholar 

  15. Chromčíková M, Liška M, Macháček J, Šulcová J. Thermodynamic model and structure of CaO–P2O5 glasses. J Therm Anal Calorim. 2013;144:757–89.

    Google Scholar 

  16. Vonka P, Leitner J. Calculation of chemical equilibria in heterogeneous multicomponent systems. Calphad. 1995;19:25–36.

    Article  CAS  Google Scholar 

  17. Seward TP III, Vascott T, editors. High temperature glass melt property database for process modeling. Westerville, OH: American Ceramic Society; 2005.

    Google Scholar 

  18. http://www.crct.polymtl.ca/fact/. Sept 2014.

  19. Zakaznova-Herzog VP, Malfait WJ, Herzog F, Halter WE. J Non-Cryst Solids. 2007;353:4015–28.

    Article  CAS  Google Scholar 

  20. Malfait WJ, Zakaznova-Herzog VP, Halter WE. J Non-Cryst Solids. 2007;353:4029–42.

    Article  CAS  Google Scholar 

  21. Malfait WJ, Halter WE. Phys. Rev. B. 2008;B77:014201.

    Article  Google Scholar 

  22. Malfait WJ. Quantitative Raman spectroscopy: speciation of cesium silicate glasses. J Raman Spectrosc. 2009;40:1895–901.

    Article  CAS  Google Scholar 

  23. Factor analysis Toolbox for MATLAB®. Applied Chemometrics, www.chemometrics.com September, 2014.

  24. Malinowski ER. Factor analysis in chemistry. 3rd ed. New York: Wiley; 2002.

    Google Scholar 

  25. Kramer R. Chemometric techniques for quantitative analysis. New York: Marcel Dekker; 1998.

    Book  Google Scholar 

  26. Ruckebusch C, Blanchet L. Multivariate curve resolution: a review of advanced and tailored applications and challenges. Anal Chim Acta. 2013;765:28–36.

    Article  CAS  Google Scholar 

  27. http://www.eigenvector.com/courses/EigenU_MCR.html. Sept 2014.

Download references

Acknowledgements

This work was supported by the Slovak Grant Agency for Science under the grant VEGA 1/0006/12 and by the Slovak Research and Development Agency Project ID: APVV-0487-11.

Author information

Authors and Affiliations

  1. Vitrum Laugaricio – Joint Glass Center of IIC SAS, TnUAD, FCHPT STU, Študentská 2, 911 50, Trenčín, Slovakia

    Mária Chromčíkova, Marek Liška, Vladimíra Zemanová, Alfonz Plško & Branislav Hruška

  2. Institute of Chemical Technology, Technická 5, 166 28, Prague, Czech Republic

    Tadeáš Gavenda

Authors
  1. Mária Chromčíkova
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Marek Liška
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Vladimíra Zemanová
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Alfonz Plško
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Branislav Hruška
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. Tadeáš Gavenda
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Mária Chromčíkova.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Chromčíkova, M., Liška, M., Zemanová, V. et al. Thermodynamic model and Raman spectra of CaO–P2O5 glasses. J Therm Anal Calorim 121, 269–274 (2015). https://doi.org/10.1007/s10973-015-4515-2

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10973-015-4515-2

Keywords

Search

Navigation