The distribution of cation and anion components of sodium containing calcium aluminosilicate glass was studied by classical molecular dynamics simulations in a high temperature melt in the bulk and at the vacuum-melt interface. A significant redistribution of the sodium and non-bridging oxygen ions was observed. Subsequently, a sodium depleted calcium aluminosilicate glass melt was simulated to determine the sensitivity of the redistribution of ions near the vacuum-melt interface to the presence of sodium ions. It is found that the thermodynamic equilibrium condition near a surface favors the enrichment of non-bridging oxygen ions that is closely associated with enrichment of the sodium ions.
Revised: March 15, 2006 |
Published: January 1, 2006
Citation
Corrales L.R., and J. Du. 2006.Characterization of ion distributions near the surface of sodium-containing and sodium-depleted calcium aluminosilicate glass melts.Journal of the American Ceramic Society 89, no. 1:36-41.PNNL-SA-45164.doi:10.1111/j.1551-2916.2005.00695.x