Scattering Function of Wormlike Rings

Tsubouchi, Ryutaro; Ida, Daichi; Yoshizaki, Takenao; Yamakawa, Hiromi

doi:10.1021/ma402572k

Cited by 24 publications

(20 citation statements)

References 28 publications

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“…As a comparison, the single chain structure factor S(q) computed from the MD simulation is also presented in the Kratky form (i.e., S(q)q 2 versus q). In both cases, a peak emerges at the intermediate q range as the fraction of sticker increase-a feature that is indicative of either branching (interchain association) [33][34][35] or loop formation (intrachain association) [36,37]. However, it is important to recognize that the fraction of interchain bonding decreases as the number of stickers per chain increases.…”

Section: Resultsmentioning

confidence: 98%

Chain conformation of polymer melts with associating groups

et al. 2019

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Molecular association has profound influences on the viscoelastic properties of polymers with associating side groups. The conventional wisdom is that interchain association dominates in the melt state, and the dynamics of the associative polymer network therefore might be understood by extending the classical molecular approaches such as the Rouse and reptation models for linear chains. Using small-angle neutron scattering and molecular dynamics simulation, here we show that while interchain association is important, intrachain association can not be neglected in determining the static structures of associating polymers in the melt state. Analyses of the radius of gyration, static structure factor, and intrachain mean-square distance of polymers with associating side groups have revealed a substantial deviation from the random walk structure at even moderate association strength and degree of functionality. This finding emphasizes the important role of intrachain loops in associative polymer networks.

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Section: Resultsmentioning

confidence: 98%

Chain conformation of polymer melts with associating groups

et al. 2019

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“…The theoretical values agree well with the corresponding MC values in the range of ⟨S 2 ⟩ 1/2 k ≲ 3, where the peak characteristic of the ring appears, for λL ≳ 10. We note that in the ranges of ⟨S 2 ⟩ 1/2 k ≲ 3 and λL ≳ 10, effects of chain thickness on P (k) are negligibly small 40.…”

mentioning

confidence: 76%

“…Although the KP chain model may in principle be extended to other kinds of non-linear polymer chains, the only theoretical studies that emerged thus far investigate the mean-square-radius -4of gyration ⟨S 2 ⟩ of the KP stars by Mansfield and Stockmayer 5 and ⟨S 2 ⟩, the intrinsic viscosity [η], and the translational diffusion coefficient D of the KP ring by Yamakawa's group. [13][14][15] We recently made theoretical and/or Monte Carlo studies of the dilute solution properties of semiflexible star [34][35][36][37][38] and ring 39,40 polymers using the KP wormlike chain model. In this short review, the results of these studies are briefly summarized.…”

Section: Introductionmentioning

confidence: 99%

Dilute solution properties of semiflexible star and ring polymers

Ida

2014

Polym J

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Our recent theoretical and/or Monte Carlo (MC) studies of dilute solution properties of semiflexible stars and rings are briefly summarized. The theoretical results for the intrinsic viscosity [η] of the Kratky-Porod (KP) wormlike three-and four-arm stars are shown, and effects of chain stiffness on [η] of the stars are examined. A comparison of the results for [η] with those for the effective hydrodynamic radius and the second virial coefficient A 2 in a good solvent was made for the semiflexible three-arm stars. It was found that [η] is the most suitable object of study to examine the effects of chain stiffness on average chain dimensions of the stars. As for the rings, the MC results for A 2 of the ideal KP rings, which is related to the intermolecular topological interactions, are presented and then compared with the data in the literature for ring atactic polystyrene (a-PS) at Θ for large molecular weight M (1 × 10 4-6 × 10 5). Even for ring a-PS in such a range of M , the effects of chain stiffness were still remarkable. The effects of the intramolecular topological constraints on the mean-square radius of gyration and the scattering function of the KP rings are also discussed.

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“…This is an effective method when the wormlike chain parameters may depend on the chain length. While P(q) of the wormlike ring cannot be calculated analytically, Tsubouchi et al [64] developed a Monte Carlo simulation method to calculate the particle scattering function Pc(q) of thin wormlike ring. Furthermore, if the chain thickness is taken into account by the touched-bead model as follows, ( ) (9) we reported that the resultant P(q) successfully reproduced the experimental data for the three amylose derivatives, that is, cATPC, cATBC, and cADMPC [24,44].…”

Section: Analyses In Terms Of the Cyclic Wormlike Chain: Catodcmentioning

confidence: 99%

Linear and cyclic amylose derivatives having brush like side groups in solution: Amylose tris(n-octadecylcarbamate)s

Ryoki

Kim

Kitamura

et al. 2018

Polymer

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Seven linear amylose tris(n-octadecylcarbamate) (ATODC) samples ranging in the weightaverage molar mass Mw from 2.4  10 4 to 1.5  10 6 g mol −1 and their seven cyclic analogues (cATODC) of which Mw are from 3.6  10 4 to 1.9  10 5 g mol −1 were prepared to characterize their conformation in tetrahydrohuran (THF), in 2-octanone (MHK), and in tertbutyl methyl ether (MTBE). Light and small-angle X-ray scattering and viscosity measurements in dilute solution were employed to determine the particle scattering function P(q), the z-average mean-square radius of gyration S 2 z, and the intrinsic viscosity []. The obtained data were analyzed in terms of the wormlike chain model to determine the helix pitch per residue h and the Kuhn segment length  −1 which is a measure of the chain stiffness and equal to twice the persistence length. The parameters indicate that the linear ATODC has an appreciably extended local helical structure and high chain stiffness while the latter parameter  −1 in THF is lower than those for amylose alkylcarbamates with shorter side chains. This is most likely due to the repulsion between relatively long side groups. This chain extension and less stiff main chain were more significantly observed for the cyclic chains. Lyotropic liquid crystallinity in concentrated solutions supports the high rigidity of ATODC and cATODC chains in solution.

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Scattering Function of Wormlike Rings

Cited by 24 publications

References 28 publications

Chain conformation of polymer melts with associating groups

Chain conformation of polymer melts with associating groups

Dilute solution properties of semiflexible star and ring polymers

Linear and cyclic amylose derivatives having brush like side groups in solution: Amylose tris(n-octadecylcarbamate)s

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