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半柔性聚合物向列型共混物中的熵解混

Entropic Unmixing in Nematic Blends of Semiflexible Polymers.

作者信息

Milchev Andrey, Egorov Sergei A, Midya Jiarul, Binder Kurt, Nikoubashman Arash

机构信息

Institute for Physical Chemistry, Bulgarian Academia of Sciences, 1113 Sofia, Bulgaria.

Institute of Physics, Johannes Gutenberg University Mainz, Staudingerweg 7, 55128 Mainz, Germany.

出版信息

ACS Macro Lett. 2020 Dec 15;9(12):1779-1784. doi: 10.1021/acsmacrolett.0c00668. Epub 2020 Nov 20.

DOI:10.1021/acsmacrolett.0c00668
PMID:35653682
Abstract

Binary mixtures of semiflexible polymers with the same chain length, but different persistence lengths, separate into two coexisting different nematic phases when the osmotic pressure of the lyotropic solution is varied. Molecular Dynamics simulations and Density Functional Theory predict phase diagrams either with a triple point, where the isotropic phase coexists with two nematic phases or a critical point of unmixing within the nematic mixture. The difference in locally preferred bond angles between the constituents drives this unmixing without any attractive interactions between monomers.

摘要

具有相同链长但不同持久长度的半柔性聚合物二元混合物,在溶致溶液的渗透压变化时会分离成两个共存的不同向列相。分子动力学模拟和密度泛函理论预测的相图要么有一个三相点,即各向同性相与两个向列相共存,要么在向列混合物中有一个不混溶临界点。组分之间局部优先键角的差异驱动了这种不混溶,而单体之间没有任何吸引相互作用。

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