Order–disorder transitions of π‐conjugated polymers in condensed phases. II. Model calculations
Order–disorder transitions of π‐conjugated polymers in condensed phases. II. Model calculations
复制标题
凝聚相中π共轭聚合物的有序-无序转变II。
DOI：
10.1063/1.451313
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发表时间：
1986
影响因子：
4.4
通讯作者：
K. Schweizer
中科院分区：
文献类型：
--
作者：
K. Schweizer
基于前一篇论文中提出的理论，提出了 π 共轭聚合物的相行为和光谱性质的数值计算。研究的具体模型包括单链统计和构型依赖的聚合物-溶剂相互作用。建立了转变温度和共存区域对溶剂、缺陷形成能、链长和多分散性的详细依赖性。讨论了平衡计算与电子吸收和光散射测量的相关性。简要考虑了聚二乙炔结果的实验意义以及该理论的系统特定推广的影响。
Numerical calculations of the phase behavior and spectroscopic properties of π‐conjugated polymers are presented based on the theory developed in the preceding paper. The specific model studied includes the single chain statistics and the configuration‐dependent polymer–solvent interactions. The detailed dependence of the transition temperature and coexistence region on solvent, defect formation energy, chain length, and polydispersity is established. Relevance of the equilibrium calculations to electronic absorption and light scattering measurements is discussed. Experimental implications of the results for the polydiacetylenes, and the effects of system‐specific generalizations of the theory, are briefly considered.