Application of transition state theory to the study of materials containing acryloxy and acrylate units

We study the diffusion behavior of a probe, in monomers containing acryloxy and acrylate units that are commonly used in restorative dentistry. We apply a version of transition state theory with satisfactory results. Results show that transition state theory describes part of the underlying physics...

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Bibliographic Details
Published in:Polymer (Guilford) 2005-05, Vol.46 (12), p.4384-4389
Main Authors: Galiatsatos, Vassilios, Sherman, B. Jeffrey
Format: Article
Language:English
Subjects:
Applied sciences
Dental polymeric materials
Exact sciences and technology
Model compounds
Modeling
Organic polymers
Physicochemistry of polymers
Transition state theory
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Summary:We study the diffusion behavior of a probe, in monomers containing acryloxy and acrylate units that are commonly used in restorative dentistry. We apply a version of transition state theory with satisfactory results. Results show that transition state theory describes part of the underlying physics successfully thus reinforcing its applicability as a complement and extension to molecular dynamics simulations.
ISSN:0032-3861
1873-2291
DOI:10.1016/j.polymer.2005.03.007