Medium-range order in phospho-silicate bioactive glasses: Insights from MAS-NMR spectra,chemical durability experiments and molecular dynamics simulations |
| |
| Authors: | Laura Linati Gigliola Lusvardi Gianluca Malavasi Ledi Menabue M. Cristina Menziani Piercarlo Mustarelli Alfonso Pedone Ulderico Segre |
| |
| Affiliation: | 1. Centro Grandi Strumenti, University of Pavia, Via Bassi 21, 27100 Pavia, Italy;2. Department of Chemistry and SCS center, University of Modena and Reggio Emilia, Via G. Campi 183, 41100 Modena, Italy;3. Department of Physical Chemistry ‘M. Rolla’, University of Pavia, and IENI-CNR, Via Taramelli 16, 27100 Pavia, Italy |
| |
| Abstract: | The medium-range order of phospho-silicate bioactive glasses (with compositions (2 ? p)SiO2 · 1Na2O · 1.1CaO · pP2O5, in which p = 0.10, 0.20, 0.26) has been studied by means of a combined-experimental (MAS-NMR, chemical durability measurements) and computational (classical molecular dynamics (MD)) approach. The structural model obtained by MD is showed to be helpful in the interpretation of the NMR spectra. A small amount of Si–O–P link units has been detected in glasses with low P2O5-content, but at high P2O5 concentration the percentage of Si–O–P bridges becomes important. However, Qn distributions show that the HP5 (p = 0.20) glass structure is less polymerized with respect to the H (p = 0.10) and HP6.5 (p = 0.26) glasses. These results provide useful explanation of the behavior of these glasses in water and highlight the influence of the medium-range order on a very important property of potential bioactive glasses such as the chemical durability. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
