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- W2800395220 endingPage "4361" @default.
- W2800395220 startingPage "4351" @default.
- W2800395220 abstract "Molecular dynamics simulations are used to design a series of high-χ block oligomers (HCBOs) that can self-assemble into a variety of mesophases with domain sizes as small as 1 nm. The exploration of these oligomers with various chain lengths, volume fractions, and chain architectures at multiple temperatures reveals the presence of ordered lamellae, perforated lamellae, and hexagonally packed cylinders. The achieved periods are as small as 3.0 and 2.1 nm for lamellae and cylinders, respectively, which correspond to polar domains of approximately 1 nm. Interestingly, the detailed phase behavior of these oligomers is distinct from that of either solvent-free surfactants or block polymers. The simulations reveal that the behavior of these HCBOs is a product of an interplay between both “surfactant factors” (headgroup interactions, chain flexibility, and interfacial curvature) and “block polymer factors” (χ, chain length N, and volume fraction f). This insight promotes the understanding of molecular features pivotal for mesophase formation at the sub-5 nm length scale, which facilitates the design of HCBOs tailored toward particular desired morphologies." @default.
- W2800395220 created "2018-05-17" @default.
- W2800395220 creator A5002652750 @default.
- W2800395220 creator A5021121847 @default.
- W2800395220 creator A5044358227 @default.
- W2800395220 creator A5060249509 @default.
- W2800395220 creator A5060730676 @default.
- W2800395220 creator A5075780706 @default.
- W2800395220 date "2018-04-16" @default.
- W2800395220 modified "2023-09-25" @default.
- W2800395220 title "Computational Design of High-χ Block Oligomers for Accessing 1 nm Domains" @default.
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