In this work, the glass transition temperature and chemical durability of bioactive phospho-silicate glasses were experimentally determined and correlated to the structural descriptor Fnet derived from classical molecular dynamics simulations. The replacement of CaF2 for Na2O in the parent glass 45S5 enhances both chemical durability and density, while the replacement of CaF2 for CaO lowers chemical durability. The proposed descriptor, Fnet, provides satisfactorily correlations with glass transition temperature and chemical durability over a wide range of compositions.

Quantitative Structure−Property Relationships of Potentially Bioactive Fluoro Phospho-silicate Glasses / Lusvardi, Gigliola; Malavasi, Gianluca; F., Tarsitano; Menabue, Ledi; Menziani, Maria Cristina; Pedone, Alfonso. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - STAMPA. - 113:(2009), pp. 10331-10338. [10.1021/jp809805z]

Quantitative Structure−Property Relationships of Potentially Bioactive Fluoro Phospho-silicate Glasses

LUSVARDI, Gigliola;MALAVASI, Gianluca;MENABUE, Ledi;MENZIANI, Maria Cristina;PEDONE, Alfonso
2009

Abstract

In this work, the glass transition temperature and chemical durability of bioactive phospho-silicate glasses were experimentally determined and correlated to the structural descriptor Fnet derived from classical molecular dynamics simulations. The replacement of CaF2 for Na2O in the parent glass 45S5 enhances both chemical durability and density, while the replacement of CaF2 for CaO lowers chemical durability. The proposed descriptor, Fnet, provides satisfactorily correlations with glass transition temperature and chemical durability over a wide range of compositions.
2009
113
10331
10338
Quantitative Structure−Property Relationships of Potentially Bioactive Fluoro Phospho-silicate Glasses / Lusvardi, Gigliola; Malavasi, Gianluca; F., Tarsitano; Menabue, Ledi; Menziani, Maria Cristina; Pedone, Alfonso. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - STAMPA. - 113:(2009), pp. 10331-10338. [10.1021/jp809805z]
Lusvardi, Gigliola; Malavasi, Gianluca; F., Tarsitano; Menabue, Ledi; Menziani, Maria Cristina; Pedone, Alfonso
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/614436
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