Reactive modeling of the initial stages of alkoxysilane polycondensation: effects of precursor molecule structure and solution composition
Author:
Affiliation:
1. Department of Chemical Engineering & Materials Science
2. University of California
3. Davis 95616, USA
Abstract
Reactive molecular dynamics simulations are used to model polycondensation of alkoxysilanes in solution. Different precursor monomers are compared and steric effects on polycondensation kinetics are observed. The impact of the alcohol and water composition in solution are explored.
Publisher
Royal Society of Chemistry (RSC)
Subject
Condensed Matter Physics,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/SM/C5SM00964B
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