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聚合物基质中的自组装及其对相分离的影响。

Self-assembly in a polymer matrix and its impact on phase separation.

作者信息

Dudowicz Jacek, Douglas Jack F, Freed Karl F

机构信息

James Franck Institute, Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, USA.

出版信息

J Phys Chem B. 2009 Mar 26;113(12):3920-31. doi: 10.1021/jp805829k.

Abstract

Molecular self-assembly often occurs in the presence of long chain polymers, and we develop a theory to describe the competition between self-assembly and phase separation that generally occurs in these complex fluid mixtures. The theory includes a description of the particularly interesting situation where the associating "monomeric" species form high molecular mass polymeric structures and where the assembly process transforms the phase boundary from a form typical of a polymer solution to one that more resembles a polymer blend. We consider both self-assembly upon cooling and upon heating, but the van der Waals interactions are chosen so that phase separation occurs only upon cooling in the absence of association. Systems that associate upon heating prove to be particularly rich, and closed loop and ordinary (upper solution critical) phase boundaries are found to coexist over a wide range of interaction parameter values. Each critical temperature in the limit of a large polymerization index for the matrix polymers approaches its respective theta temperature. The calculations elucidate basic physical principles governing the phase behavior of these complex mixtures.

摘要

分子自组装通常发生在长链聚合物存在的情况下,我们发展了一种理论来描述自组装和相分离之间的竞争,这种竞争通常发生在这些复杂的流体混合物中。该理论包括对一种特别有趣的情况的描述,即缔合的“单体”物种形成高分子质量的聚合物结构,并且组装过程将相边界从聚合物溶液的典型形式转变为更类似于聚合物共混物的形式。我们考虑了冷却和加热时的自组装,但选择范德华相互作用使得在没有缔合的情况下仅在冷却时发生相分离。加热时缔合的系统被证明特别丰富,并且发现闭环和普通(上临界溶液)相边界在很宽的相互作用参数值范围内共存。对于基体聚合物,在聚合指数很大的极限情况下,每个临界温度都接近其各自的θ温度。这些计算阐明了支配这些复杂混合物相行为的基本物理原理。

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