Influence of Calcium on the Initial Stages of the Sol-Gel Synthesis of Bioactive Glasses.

摘要: Understanding how calcium interacts with silica sources and influences their polycondensation in aqueous solutions is of central importance for the development more effective biomaterials by sol–gel approaches. For this purpose, atomic-scale evolutions a calcium-containing precursor solution corresponding to typical bioactive glass Ca-free were compared using reactive molecular dynamics simulations. The simulations highlight significantly faster rate condensation when present initial solution, resulting formation large ramified clusters within 5 ns, which are absent system. This different behavior has been analyzed interpreted terms Ca-induced nanosegregation calcium-rich silica-rich regions, promotes reactions latter. By identifying possible mechanism behind limited incorporation nanoclusters formed earl...