Accession Number:

ADA232738

Title:

Interaction of Water with the Vitreous Silica Surface. An Atomic Level Description

Descriptive Note:

Final rept. 1 May 1986-31 Oct 1990,

Corporate Author:

RUTGERS - THE STATE UNIV PISCATAWAY NJ

Personal Author(s):

• Garofalini, Stephen H.

Report Date:

1990-12-20

Pagination or Media Count:

6.0

Abstract:

The research performed in this contract was aimed at applying the MD computer simulation technique to the study of the interaction of water molecules with vitreous silica surfaces in order to determine the effect of local substrate structure on adsorption of water molecules, silanol formation, and clustering.

Descriptors:

• *COMPUTERIZED SIMULATION
• MOLECULES
• SILICON DIOXIDE
• WATER
• VITREOUS STATE
• SUBSTRATES
• SURFACES
• COMPUTER APPLICATIONS
• ATOMIC ENERGY LEVELS
• INTERACTIONS
• ADSORPTION

Subject Categories:

• Inorganic Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE