Characterization of ion distributions near the surface of sodium-containing and sodium-depleted calcium aluminosilicate glass melts

Journal Article · Sun Jan 01 00:00:00 EST 2006 · Journal of the American Ceramic Society

DOI:https://doi.org/10.1111/j.1551-2916.2005.00695.x· OSTI ID:878133

Corrales, Louis R; Du, Jincheng

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.

• Research Organization: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 878133
• Report Number(s): PNNL-SA-45164; JACTAW; KC0301020; TRN: US0601839
• Journal Information: Journal of the American Ceramic Society, Vol. 89, Issue 1; ISSN 0002-7820
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ANIONS
CALCIUM
CATIONS
DISTRIBUTION
GLASS
OXYGEN IONS
SENSITIVITY
SODIUM
SODIUM IONS
THERMODYNAMICS
calcium
aluminosilicate
glass
melts