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Polymers
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Self-Assembling Structure and Dynamics of Multicomponent Polymer Systems
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Self-Assembling Structure and Dynamics of Multicomponent Polymer Systems

A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Physics and Theory".

Deadline for manuscript submissions: closed (29 February 2024) | Viewed by 10194

Special Issue Editor

Dr. Hiroyuki Takeno

E-Mail Website
Guest Editor
1. Division of Molecular Science, Graduate School of Science and Technology, Gunma University, Gunma 376-8515, Japan
2. Gunma University Center for Food Science and Wellness, Gunma 371-8510, Japan
Interests: composite gels; small-angle scattering analysis; food gels; gel actuator
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Self-assembly is a process that spontaneously forms ordered structures or organized structures by the association of individual components. Nanostructures or supramolecular structures can be created by microphase separation of block copolymers or the self-assembly of small molecules. As a more complicated example, many biological systems such as living organisms are formed through self-assembly and offer diverse structures. Additionally, self-assembly is a powerful method to fabricate functional materials with desired properties, which offers potential applications in a wide range of polymer fields. However, how we control the self-assembled structures by understanding the mechanism of the self-assembling process and how we fabricate the materials with the desired material properties is still a challenging problem. 

 In this Special Issue, we aim to provide a forum for recent advances regarding self-assembling structures and dynamics of natural and synthetic polymers. We welcome contributions regarding the structural analysis of self-assembled structure, the fabrication of functional materials, an understanding of the mechanism of self-assembly, theoretical modelling, and computer simulation

Dr. Hiroyuki Takeno
Guest Editor

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Polymers is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • self-assembly
  • self-organization
  • polymer hybrids
  • nanocomposites
  • polymer blends
  • block copolymers
  • polymeric gels
  • low-molecular-weight gels
  • supramolecules
  • nanostructures
  • ordered structures
  • crystallization
  • spinodal decomposition
  • microphase separation
  • phase transition
  • theoretical modeling
  • molecular dynamics
  • Monte Carlo simulations

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Published Papers (5 papers)

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Research

13 pages, 7491 KiB  
Article
Frank–Kasper Phases of Diblock Copolymer Melts: Self-Consistent Field Results of Two Commonly Used Models
by Juntong He and Qiang Wang
Polymers 2024, 16(3), 372; https://doi.org/10.3390/polym16030372 - 29 Jan 2024
Cited by 2 | Viewed by 1156
Abstract
We constructed phase diagrams of conformationally asymmetric diblock copolymer A-B melts using the polymer self-consistent field (SCF) calculations of both the dissipative particle dynamics chain (DPDC) model (i.e., compressible melts of discrete Gaussian chains with the DPD non-bonded potential) and the “standard” model [...] Read more.
We constructed phase diagrams of conformationally asymmetric diblock copolymer A-B melts using the polymer self-consistent field (SCF) calculations of both the dissipative particle dynamics chain (DPDC) model (i.e., compressible melts of discrete Gaussian chains with the DPD non-bonded potential) and the “standard” model (i.e., incompressible melts of continuous Gaussian chains with the Dirac δ-function non-bonded potential) in the χN-ε plane, where χN and ε characterize, respectively, the repulsion and conformational asymmetry between the A and B blocks, at the A-block volume fraction f = 0.2 and 0.3. Consistent with previous SCF calculations of the “standard” model, σ and A15 are the only stable Frank–Kasper (FK) phases among the five FK (i.e., σ, A15, C14, C15 and Z) phases considered. The stability of σ and A15 is due to their delicate balance between the energetic and entropic contributions to the Helmholtz free energy per chain of the system, which, within our parameter range, increases in the order of σ/A15, Z, and C14/C15. While in general the SCF phase diagrams of these two models are qualitatively consistent, A15 is not stable for the DPDC model at the copolymer chain length N = 10 and f = 0.3; any differences in the SCF phase diagrams are solely due to the differences between these two models. Full article
(This article belongs to the Special Issue Self-Assembling Structure and Dynamics of Multicomponent Polymer Systems)
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17 pages, 1606 KiB  
Article
Structure and Dynamics of Inhomogeneities in Aqueous Solutions of Graft Copolymers of N-Isopropylacrylamide with Lactide (P(NIPAM-graft-PLA)) by Spin Probe EPR Spectroscopy
by Ekaterina M. Zubanova, Tatiana A. Ivanova, Evgenii A. Ksendzov, Sergei V. Kostjuk, Peter S. Timashev, Mikhail Ya. Melnikov and Elena N. Golubeva
Polymers 2022, 14(21), 4746; https://doi.org/10.3390/polym14214746 - 5 Nov 2022
Cited by 4 | Viewed by 1784
Abstract
Coil-to-globule transition and dynamics of inhomogeneities in aqueous solutions of graft copolymers of NIPAM with different content of oligolactide groups were studied using spin probe continuous wave EPR spectroscopy. The technique of the suppressing of TEMPO as spin probe by spin exchange with [...] Read more.
Coil-to-globule transition and dynamics of inhomogeneities in aqueous solutions of graft copolymers of NIPAM with different content of oligolactide groups were studied using spin probe continuous wave EPR spectroscopy. The technique of the suppressing of TEMPO as spin probe by spin exchange with Cu2+ ions was applied. This approach allowed us to detect individual EPR spectra of the probe in collapsed globules and estimate its magnetic and dynamic parameters reliably. The formation of inhomogeneities at temperatures lower than the volume phase transition temperature measured via transmission, and differential scanning calorimetry was fixed. An increase in oligolactide content in copolymers leads to the formation of looser globules, allowing for the exchange of the probe molecules between the globules and the external solution. Full article
(This article belongs to the Special Issue Self-Assembling Structure and Dynamics of Multicomponent Polymer Systems)
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15 pages, 8257 KiB  
Article
Simulating Polymerization by Boltzmann Inversion Force Field Approach and Dynamical Nonequilibrium Reactive Molecular Dynamics
by Michele Monteferrante, Sauro Succi, Dario Pisignano and Marco Lauricella
Polymers 2022, 14(21), 4529; https://doi.org/10.3390/polym14214529 - 26 Oct 2022
Cited by 2 | Viewed by 1762
Abstract
The radical polymerization process of acrylate compounds is, nowadays, numerically investigated using classical force fields and reactive molecular dynamics, with the aim to probe the gel-point transition as a function of the initial radical concentration. In the present paper, the gel-point transition of [...] Read more.
The radical polymerization process of acrylate compounds is, nowadays, numerically investigated using classical force fields and reactive molecular dynamics, with the aim to probe the gel-point transition as a function of the initial radical concentration. In the present paper, the gel-point transition of the 1,6-hexanediol dimethacrylate (HDDMA) is investigated by a coarser force field which grants a reduction in the computational costs, thereby allowing the simulation of larger system sizes and smaller radical concentrations. Hence, the polymerization is investigated using reactive classical molecular dynamics combined with a dynamical approach of the nonequilibrium molecular dynamics (D-NEMD). The network structures in the polymerization process are probed by cluster analysis tools, and the results are critically compared with the similar all-atom system, showing a good agreement. Full article
(This article belongs to the Special Issue Self-Assembling Structure and Dynamics of Multicomponent Polymer Systems)
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11 pages, 4247 KiB  
Article
Structural and Mechanical Properties of Konjac Glucomannan Gels and Influence of Freezing-Thawing Treatments on Them
by Hiroyuki Takeno, Ryuki Hashimoto, Yunqiao Lu and Wen-Chuan Hsieh
Polymers 2022, 14(18), 3703; https://doi.org/10.3390/polym14183703 - 6 Sep 2022
Cited by 6 | Viewed by 2378
Abstract
Freezing has been widely used for long-term food preservation. However, freezing-thawing (FT) treatment usually influences the texture and structure of food gels such as konjac. For their texture control after FT treatment, it is important to clarify the structural change of food gels [...] Read more.
Freezing has been widely used for long-term food preservation. However, freezing-thawing (FT) treatment usually influences the texture and structure of food gels such as konjac. For their texture control after FT treatment, it is important to clarify the structural change of food gels during the FT process. In this study, we investigated the aggregated structures of konjac glucomannan (GM) gels during the FT process using simultaneous synchrotron small-angle X-ray/wide-angle X-ray scattering (SAXS/WAXS) techniques. The FT treatment resulted in more crystallization of GM, and consequently, a large increase in compressive stress. In-situ SAXS/WAXS measurements revealed the following findings: on freezing, water molecules came out of the aggregated phase of GM and after the thawing, they came back into the aggregated phase, but the aggregated structure did not return to the one before the freezing; the gel network enhanced the inhomogeneity due to the growth of ice crystals during freezing. Furthermore, we examined the influence of additives such as polyvinyl (alcohol) (PVA) and antifreeze glycoprotein (AFGP) on the mechanical and structural properties of freeze-thawed GM gels. Although the addition of PVA and AFGP suppressed the crystallization of GM, it could not prevent the growth of ice crystals and the increase in the inhomogeneity of the gel network. As a result, the compressive stresses for freeze-thawed GM gels containing PVA or AFGP were significantly higher compared with those of GM gels without FT treatments, although they were lower than those of freeze-thawed GM gels. The findings of this study may be useful for not only the texture control of freeze-thawed foods but also the improvement of the mechanical performance of the biomaterials. Full article
(This article belongs to the Special Issue Self-Assembling Structure and Dynamics of Multicomponent Polymer Systems)
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15 pages, 13822 KiB  
Article
Vertical Cylinder-to-Lamella Transition in Thin Block Copolymer Films Induced by In-Plane Electric Field
by Alexey S. Merekalov, Yaroslav I. Derikov, Vladimir V. Artemov, Alexander A. Ezhov and Yaroslav V. Kudryavtsev
Polymers 2021, 13(22), 3959; https://doi.org/10.3390/polym13223959 - 16 Nov 2021
Cited by 6 | Viewed by 2184
Abstract
Morphological transition between hexagonal and lamellar patterns in thin polystyrene–block–poly(4-vinyl pyridine) films simultaneously exposed to a strong in-plane electric field and saturated solvent vapor is studied with atomic force and scanning electron microscopy. In these conditions, standing cylinders made of 4-vinyl [...] Read more.
Morphological transition between hexagonal and lamellar patterns in thin polystyrene–block–poly(4-vinyl pyridine) films simultaneously exposed to a strong in-plane electric field and saturated solvent vapor is studied with atomic force and scanning electron microscopy. In these conditions, standing cylinders made of 4-vinyl pyridine blocks arrange into threads up to tens of microns long along the field direction and then partially merge into standing lamellas. In the course of rearrangement, the copolymer remains strongly segregated, with the minor component domains keeping connectivity between the film surfaces. The ordering tendency becomes more pronounced if the cylinders are doped with Au nanorods, which can increase their dielectric permittivity. Non-selective chloroform vapor works particularly well, though it causes partial etching of the indium tin oxide cathode. On the contrary, 1,4-dioxane vapor selective to polystyrene matrix does not allow for any morphological changes. Full article
(This article belongs to the Special Issue Self-Assembling Structure and Dynamics of Multicomponent Polymer Systems)
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