Reactions and Interfacial Behaviors of the Water–Amorphous Silica System from Classical and Ab Initio Molecular Dynamics Simulations Page: 14
x, 214 pages : illustrationsView a full description of this dissertation.
Extracted Text
The following text was automatically extracted from the image on this page using optical character recognition software:
values indicating that the formation of surface silanols is primarily due to the removal of
high energy defects [86,112].
In order to investigate the hydroxylation rate of un-reacted silica surfaces, silica
rods were fractured under ultra-high vacuum [119-121] by D'Souza and Pantano, to
develop a surface without an initial concentration of silanol groups and slow the
hydroxylation process by limiting water in the atmosphere, with silanol concentrations to
be measured quantitatively using SIMS [118]. Stable silanol concentrations of 2.5-2.6
silanol/nm2 were identified, as was an initial increase in silanol concentration followed
by an equilibrium value, due to removal of strained Si-O bonds in high energy structures
on the surface [118]. The changing silanol concentration with time is included in Figure
0-2 from Reference [118].14
Upcoming Pages
Here’s what’s next.
Search Inside
This dissertation can be searched. Note: Results may vary based on the legibility of text within the document.
Tools / Downloads
Get a copy of this page or view the extracted text.
Citing and Sharing
Basic information for referencing this web page. We also provide extended guidance on usage rights, references, copying or embedding.
Reference the current page of this Dissertation.
Rimsza, Jessica M. Reactions and Interfacial Behaviors of the Water–Amorphous Silica System from Classical and Ab Initio Molecular Dynamics Simulations, dissertation, May 2016; Denton, Texas. (https://digital.library.unt.edu/ark:/67531/metadc849660/m1/25/: accessed July 17, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; .