Phase behavior of x-shaped liquid crystalline macromolecules.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Dan Wei, Zhijuan He, Yunqing Huang, An-Chang Shi, Kai Jiang
{"title":"Phase behavior of x-shaped liquid crystalline macromolecules.","authors":"Dan Wei, Zhijuan He, Yunqing Huang, An-Chang Shi, Kai Jiang","doi":"10.1063/5.0245343","DOIUrl":null,"url":null,"abstract":"<p><p>X-shaped liquid crystalline macromolecules (XLCMs) are obtained by tethering two flexible end A-blocks and two flexible side B-blocks to a semiflexible R-block. A rich array of ordered structures can be formed from XLCMs, driven by the competition between the interactions between the chemically distinct blocks and the molecular connectivity. Here, we report a theoretical study on the phase behavior of XLCMs with symmetric and asymmetric side blocks by using the self-consistent field theory (SCFT). A large number of ordered structures, including smectic phases, simple and giant polygons, are obtained as solutions of the SCFT equations. Phase diagrams of XLCMs as a function of the total length and asymmetric ratio of the side chains are constructed. For XLCMs with symmetric side blocks, the theoretically predicted phase transition sequence is in good agreement with experiments. For XLCMs with a fixed total side chain length, transitions between layered structure to polygonal phases, as well as between different polygonal phases, could be induced by varying the asymmetry of the side chains. The free energy density, domain size, side chain stretching, and molecular orientation are analyzed to elucidate mechanisms stabilizing the different ordered phases.</p>","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"162 11","pages":""},"PeriodicalIF":3.1000,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1063/5.0245343","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

X-shaped liquid crystalline macromolecules (XLCMs) are obtained by tethering two flexible end A-blocks and two flexible side B-blocks to a semiflexible R-block. A rich array of ordered structures can be formed from XLCMs, driven by the competition between the interactions between the chemically distinct blocks and the molecular connectivity. Here, we report a theoretical study on the phase behavior of XLCMs with symmetric and asymmetric side blocks by using the self-consistent field theory (SCFT). A large number of ordered structures, including smectic phases, simple and giant polygons, are obtained as solutions of the SCFT equations. Phase diagrams of XLCMs as a function of the total length and asymmetric ratio of the side chains are constructed. For XLCMs with symmetric side blocks, the theoretically predicted phase transition sequence is in good agreement with experiments. For XLCMs with a fixed total side chain length, transitions between layered structure to polygonal phases, as well as between different polygonal phases, could be induced by varying the asymmetry of the side chains. The free energy density, domain size, side chain stretching, and molecular orientation are analyzed to elucidate mechanisms stabilizing the different ordered phases.

x形液晶大分子的相行为。
x型液晶大分子(xlcm)是通过将两个柔性端a块和两个柔性侧b块系在一个半柔性的r块上得到的。由化学上不同的块之间的相互作用和分子连通性之间的竞争驱动,xlcm可以形成丰富的有序结构阵列。本文利用自洽场理论(SCFT)对具有对称和不对称侧块的xlcm的相行为进行了理论研究。得到了大量的有序结构,包括近晶相、简单多边形和巨大多边形。构造了xlcm与侧链总长度和不对称比的相图。对于具有对称侧块的xlcm,理论预测的相变序列与实验结果吻合较好。对于侧链总长度固定的xlcm,通过改变侧链的不对称性,可以诱导层状结构向多角形相以及不同多角形相之间的转变。通过对自由能密度、畴大小、侧链拉伸和分子取向的分析,阐明了不同有序相的稳定机理。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信