The Vogel-Fulcher-Tamman Equation Investigated by Atomistic Simulation with Regard to the Adam-Gibbs Model

详细信息    查看全文

• 作者：Noureddine Metatla ; Armand Soldera
• 刊名：Macromolecules
• 出版年：2007
• 出版时间：December 25, 2007
• 年：2007
• 卷：40
• 期：26
• 页码：9680 - 9685
• 全文大小：74K
• 年卷期：v.40,no.26(December 25, 2007)
• ISSN：1520-5835

文摘

Many efforts in experimental and theory are dedicated to study the puzzling problem of glasstransition. With the involvement of molecular modeling, a fresh look at this intricate phenomenon was taken.Nevertheless, the difficulty to accurately probe all the domains of times necessary to describe this process stillremains. Moreover, using a full-atomic description to account for equilibrated systems has been called into question.However, such depiction offers a special regard since it could deal with small modifications in the polymerarchitecture. From an appropriate selection of phase space, it was shown that atomistic simulation was able tolink simulated and experimental glass transition temperatures of vinylic polymers using the established Williams-Landel-Ferry equation. Consequently, atomic insight into the glass transition phenomenon can be gained froma comparison of simulated data with actual models and experimental data. In this paper, the different parametersintervening in the Vogel-Fulcher-Tamman equation stemming from the local dynamics of a series of vinylicpolymers are thus compared. Their behavior yields an atomistic viewpoint of the Adam-Gibbs model.