Conformation of a Comb-like Chain in Solution: Effect of Backbone Rigidity

Mai, Xing-Hong; Hao, Peng; Liu, Danfeng; Ding, Mingming

doi:10.1021/acsomega.2c08018

Cited by 5 publications

(1 citation statement)

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“…A coarse-grained model was used in this study based on a previous study and relevant reports. − ,,,− Figure (a) presents the use of a bead–spring chain to model a core–shell bottle-brush copolymer denoted as C m – g –( A 3 B 3 ) n , where C denotes the hydrophilic backbone (green) and A 3 B 3 represents diblock side chains comprising three hydrophilic ( A , green) and three hydrophobic beads ( B , red). Based on our previous work, two chains were selected, C 50 – g –( A 3 B 3 ) 50 and C 100 – g –( A 3 B 3 ) 100 , where C 50 – g –( A 3 B 3 ) 50 assembles to form SM and C 100 – g –( A 3 B 3 ) 100 assembles to form TUSM or TNSM.…”

Section: Model and Methodsmentioning

confidence: 99%

Flow-Driven Translocation of Strung Micelles Formed by Core–Shell Bottle-Brush Copolymers and the Accompanying Morphological Transformation through a Nanochannel

Qi,

Liu,

Ding

2024

Macromolecules

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Herein, the flow-driven translocation of strung micelles formed by core−shell bottle-brush copolymers was investigated through hybrid lattice-Boltzmann molecular dynamics simulations. Results reveal that despite the submicelle size in two uniformly strung micelles being approximately the same as that of a single micelle, they exhibited a higher critical flow flux. Furthermore, two nonuniformly strung micelles exhibited a slightly higher critical flow flux compared to two uniformly strung micelles, which is mainly determined by the larger submicelle. Interestingly, most strung micelles transformed into cylindrical micelles after they crossed the nanochannel. These cylindrical micelles exhibited a lower critical flow flux compared with strung micelles because they were thinner than equivalent strung micelles. This study clarifies the transformations between various micelle structures during flowdriven translocation, emphasizing that spherical and cylindrical micelles are more easily generated when subjected to the constraints of a nanochannel. Additionally, it provides insights into the stability of strung micelles, contributing to the valuation of different micelle performances.

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Section: Model and Methodsmentioning

confidence: 99%

Flow-Driven Translocation of Strung Micelles Formed by Core–Shell Bottle-Brush Copolymers and the Accompanying Morphological Transformation through a Nanochannel

Qi,

Liu,

Ding

2024

Macromolecules

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The effects of poly(ethylene glycol) grafting density on the extensional solution flows of high molecular weight polyacrylamide

Linscott,

Zhu,

Hong

et al. 2023

Journal of Polymer Science

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Controlling the extensional rheological properties of solutions is of great interest for a number of applications, such as printing and coatings, as polymeric additives can modify a fluid's droplet size, formation, and breakup. We have measured the extensional flows of polyacrylamide graft poly(ethylene glycol) amine (PAM‐g‐PEGa) solutions as a function of grafting density. PAM‐g‐PEGa is synthesized with grafting densities of 2.5%, 5.5%, 8%, and 30% and extensional flow was analyzed with drop‐on‐substrate rheology. Flow time scales and profiles are then compared to understand the effects of backbone extension from the addition of side chains. At low grafting densities, the viscous friction from the added side chains is comparable to, and in some cases, counteracts the losses in extensibility to the graft polymer's backbone, leading to increases in the relaxation time of the polymer. At higher grafting densities, the extension of the backbone reduces the relaxation time. By characterizing the effects of the graft density architecture on extensional flows, we are able to fine‐tune and control the breakup dynamics of elastic solutions.

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The Influence of Graft Rigidity on the Dynamical Behavior of PMMS-Based Polymer Brushes at Ambient and High Pressures

Zimny,

Tarnacka,

Maksym

et al. 2024

Macromolecules

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In this paper, we investigated the molecular dynamics of polymer brushes based on poly(mercaptopropyl)methylsiloxane (PMMS), in which the thiol group was grafted with different homologous flexible acrylates (acrylate-based PMMS copolymers) and more rigid methacrylate (methacrylate-based PMMS copolymers) monomers of varying lengths of alkyl chain under ambient and elevated pressure conditions. It was found that the glass transition temperature, T g , of PMMS homopolymer is significantly lower compared to the other systems. Moreover, surprisingly, in the methacrylate-grafted copolymers, there are two relaxation processes (α and α′), while in the systems grafted with various acrylates, only a single process is present in the supercooled phase. Complementary rheological investigations indicated that the faster α process comes from the segmental motions, while α′ is not detected in the mechanical response. Further high-pressure experiments showed that there is a superposition between segmental and α′ modes irrespective of applied pressure, p, in methacrylate-based PMMS copolymers. This result suggests that the latter process might be considered as a sub-Rouse mode, or alternatively, it may originate from the dielectric active relaxation of the rigid polar side chain (grafts). Moreover, analysis of the high-pressure data allowed us to estimate the pressure coefficient of the glass transition temperature, dT g /dp, which was much higher for polymer brushes with respect to the PMMS homopolymer. Interestingly, the values of dT g /dp for methacrylate-grafted copolymers are slightly higher compared to acrylate-based PMMS copolymers, which may be due to the different flexibility/rigidity of both groups of materials as all examined materials have the same degree of polymerization of homopolymer backbone (N bb ∼ 12) and side chain (N sc = 1). However, for both groups of studied systems, dT g /dp values did not scale with chain length. This unexpected result must be related to the structure of the studied grafted copolymers and the character of grafts, derivatives of acrylates/methacrylates. The data presented here extend our knowledge of the influence of the architecture of different molecules on the dynamics of polymers at ambient and high pressures.

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Conformation of a Comb-like Chain in Solution: Effect of Backbone Rigidity

Cited by 5 publications

References 50 publications

Flow-Driven Translocation of Strung Micelles Formed by Core–Shell Bottle-Brush Copolymers and the Accompanying Morphological Transformation through a Nanochannel

Flow-Driven Translocation of Strung Micelles Formed by Core–Shell Bottle-Brush Copolymers and the Accompanying Morphological Transformation through a Nanochannel

The effects of poly(ethylene glycol) grafting density on the extensional solution flows of high molecular weight polyacrylamide

The Influence of Graft Rigidity on the Dynamical Behavior of PMMS-Based Polymer Brushes at Ambient and High Pressures

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