Influence of Cohesive Energy and Chain Stiffness on Polymer Glass Formation
Influence of Cohesive Energy and Chain Stiffness on Polymer Glass Formation
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DOI：
10.1021/ma501581u
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发表时间：
2014-09
期刊：
影响因子：
5.5
通讯作者：
Wen-Sheng Xu;K. Freed
中科院分区：
文献类型：
--
作者：
Wen-Sheng Xu;K. Freed
The generalized entropy theory is applied to assess the joint influence of the microscopic cohesive energy and chain stiffness on glass formation in polymer melts using a minimal model containing a single bending energy and a single (monomer averaged) nearest neighbor van der Waals energy. The analysis focuses on the combined impact of the microscopic cohesive energy and chain stiffness on the magnitudes of the isobaric fragility parameter mP and the glass transition temperature Tg. The computations imply that polymers with rigid structures and weak nearest neighbor interactions are the most fragile, while Tg becomes larger when the chains are stiffer and/or nearest neighbor interactions are stronger. Two simple fitting formulas summarize the computations describing the dependence of mP and Tg on the microscopic cohesive and bending energies. The consideration of the combined influence of the microscopic cohesive and bending energies leads to the identification of some important design concepts, such as i...
