聚（3-己基噻吩-2,5-二亚基）的相行为
Phase Behavior of Poly(3-hexylthiophene-2,5-diyl).
作者信息
Snyder Chad R, Gomez Enrique D
机构信息
Materials Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States.
Department of Chemical Engineering and Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
出版信息
J Polym Sci B Polym Phys. 2016 Jul;54(13):1202-1206. doi: 10.1002/polb.24027. Epub 2016 Mar 4.
The phase behavior of many conjugated polymers is rich with both crystalline and liquid crystalline phases. Recent computational efforts have identified the isotropic-to-nematic transition temperature for polymers such as poly(3-hexylthiophene-2,5-diyl) (P3HT). Herein, model predictions are combined with experimentally determined values of the equilibrium melting temperature as a function of chain length to provide the complete phase behavior for P3HT. Additionally, because a full description of the phase behavior requires proper accounting for the regioregularity of the chain, a thermodynamic relationship is derived to predict this behavior as a function of both chain length and regioregularity and the impact of regioregularity on the expected phase diagram is discussed.
许多共轭聚合物的相行为包含丰富的晶相和液晶相。最近的计算研究已经确定了诸如聚（3-己基噻吩-2,5-二亚基）（P3HT）等聚合物的各向同性向向列相转变温度。在此，将模型预测与作为链长函数的平衡熔点的实验测定值相结合，以提供P3HT的完整相行为。此外，由于对相行为的完整描述需要适当考虑链的区域规整性，因此推导了一种热力学关系，以预测这种行为作为链长和区域规整性的函数，并讨论了区域规整性对预期相图的影响。
Zotero 插件