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Block Copolymers and Chirality: Inte...

Buchanan, Natalie.

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Block Copolymers and Chirality: Interplay Between Conformations and Structures.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Block Copolymers and Chirality: Interplay Between Conformations and Structures./
Author:	Buchanan, Natalie.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2024,
Description:	114 p.
Notes:	Source: Dissertations Abstracts International, Volume: 85-11, Section: B.
Contained By:	Dissertations Abstracts International85-11B.
Subject:	Computational chemistry. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=31295271
ISBN:	9798382728759

Block Copolymers and Chirality: Interplay Between Conformations and Structures.
Buchanan, Natalie.

Block Copolymers and Chirality: Interplay Between Conformations and Structures. - Ann Arbor : ProQuest Dissertations & Theses, 2024 - 114 p.

Source: Dissertations Abstracts International, Volume: 85-11, Section: B.

Thesis (Ph.D.)--Rochester Institute of Technology, 2024.

Block copolymers can exhibit chirality at three different length scales molecular chirality at the residue scale, conformational chirality at the molecular scale, and structural chirality at the mesoscale from the self-assembly of thousands of molecules. Unique morphologies have been formed due to chirality transfer, a phenomenon where chirality at smaller length scales imparts chirality to larger length scales. However, chirality does not always transfer, with chiral blocks existing in an achiral phase due to chiral frustration. The thermodynamics of the effects of chirality on block copolymer self-assembly is not well understood. This work demonstrates that coarse-grained models can effectively capture and explain the influence of chain conformation and repulsive interactions on chirality induction, transfer, and frustration while offering valuable insights into these phenomena.First, achiral triblock copolymers in the gyroid morphology are studied. The gyroid is stabilized with short homopolymer additions that prevent excessive chain stretching and provide more network tunability. Secondly, a model for chiral chain conformations is developed. A wide range of helical conformations is accessed and the model is matched to an experimental polypeptoid system. Finally, this model is expanded to investigate chiral diblock copolymers in the achiral lamellar phase. The interplay between the chains and the phase is found to depend on a variety of chain metrics such as chain stiffness and pitch. This work provides a perspective to compare and contrast different chiral polymer systems, providing explanations for different self-assembly behavior. 

ISBN: 9798382728759Subjects--Topical Terms:

3350019
Computational chemistry.
Subjects--Index Terms:

Block copolymers

Block Copolymers and Chirality: Interplay Between Conformations and Structures.
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005 20241210085416.5
006 m o d
007 cr#unu||||||||
008 261011s2024 ||||||||||||||||| ||eng d
020 $a 9798382728759
035 $a (MiAaPQ)AAI31295271
035 $a AAI31295271
040 $a MiAaPQ $c MiAaPQ
100 1 $a Buchanan, Natalie. $3 3815182
245 1 0 $a Block Copolymers and Chirality: Interplay Between Conformations and Structures.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2024
300 $a 114 p.
500 $a Source: Dissertations Abstracts International, Volume: 85-11, Section: B.
500 $a Advisor: Padmanabhan, Poornima.
502 $a Thesis (Ph.D.)--Rochester Institute of Technology, 2024.
520 $a Block copolymers can exhibit chirality at three different length scales molecular chirality at the residue scale, conformational chirality at the molecular scale, and structural chirality at the mesoscale from the self-assembly of thousands of molecules. Unique morphologies have been formed due to chirality transfer, a phenomenon where chirality at smaller length scales imparts chirality to larger length scales. However, chirality does not always transfer, with chiral blocks existing in an achiral phase due to chiral frustration. The thermodynamics of the effects of chirality on block copolymer self-assembly is not well understood. This work demonstrates that coarse-grained models can effectively capture and explain the influence of chain conformation and repulsive interactions on chirality induction, transfer, and frustration while offering valuable insights into these phenomena.First, achiral triblock copolymers in the gyroid morphology are studied. The gyroid is stabilized with short homopolymer additions that prevent excessive chain stretching and provide more network tunability. Secondly, a model for chiral chain conformations is developed. A wide range of helical conformations is accessed and the model is matched to an experimental polypeptoid system. Finally, this model is expanded to investigate chiral diblock copolymers in the achiral lamellar phase. The interplay between the chains and the phase is found to depend on a variety of chain metrics such as chain stiffness and pitch. This work provides a perspective to compare and contrast different chiral polymer systems, providing explanations for different self-assembly behavior. 
590 $a School code: 0465.
650 4 $a Computational chemistry. $3 3350019
650 4 $a Chemical engineering. $3 560457
650 4 $a Polymer chemistry. $3 3173488
650 4 $a Molecular chemistry. $3 1071612
653 $a Block copolymers
653 $a Chain conformation
653 $a Chirality
653 $a Coarse-grained models
653 $a Gyroid morphology
653 $a Self-assembly behavior
690 $a 0219
690 $a 0542
690 $a 0495
690 $a 0431
710 2 $a Rochester Institute of Technology. $b Microsystems Engineering. $3 1023613
773 0 $t Dissertations Abstracts International $g 85-11B.
790 $a 0465
791 $a Ph.D.
792 $a 2024
793 $a English
856 4 0 $u https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=31295271