Bead-Spring Model Analysis of Linear Viscoelasticity for Unentangled Multi-Cyclic Polystyrene Melts
5 affiliations
- 1Department of Organic Materials Science
- 2Yamagata University
- 3Advanced Manufacturing Technology Institute, Kanazawa University
- 4School of Chemical Engineering and Light Industry
- 5Guangdong University of Technology
Abstract
Multi-cyclic (MC) polymers, in which multiple ring units are connected within a single molecule, are expected to exhibit properties distinct from those of linear and trivial ring polymers. Here, we performed graph-theory-based bead-spring model calculations for a series of unentangled MC polystyrene (MC-PS) melts with different chain connectivities and compared the results with previously reported experimental linear viscoelastic data. This calculation allows for the comparison of linear viscoelasticity among different MC molecules using a single, architecture-independent time-scale. The distribution and multiplicity of the eigenvalues λ p at mode number p , which determine the relaxation times through τ p ∝ 1/ λ p , of the MC molecules depends strongly on the architecture and its overall symmetry. In addition, the model reasonably captured the experimental linear rheological behavior of the MC-PS melts, including the complex modulus G * ( ω ) and the zero-shear viscosity η 0 , although the experimental data have modest differences. Furthermore, we found that the architecture dependence of η 0 can be semi-quantitatively organized using the squared radius of gyration calculated from the bead-spring model, R g,BS 2 , rather than relying only on the number of constrained segments, n cs , which has been used as an empirical architectural parameter in previous studies. This descriptor also distinguishes MC architectures with the same n cs but different rheological responses, demonstrating that chain connectivity provides a physically grounded basis for describing the linear viscoelasticity of unentangled MC polymer melts.
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BibTeX
@misc{doi2026beadspring,
title = {{Bead-Spring Model Analysis of Linear Viscoelasticity for Unentangled Multi-Cyclic Polystyrene Melts}},
author = {Yuya Doi and Takeshi Sato and Zhi-Chao Yan},
howpublished = {ChemRxiv},
year = {2026},
month = oct,
doi = {10.26434/chemrxiv.15007177/v2},
url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15007177/v2},
note = {CC BY-NC-ND},
}
RIS
TY - UNPB
TI - Bead-Spring Model Analysis of Linear Viscoelasticity for Unentangled Multi-Cyclic Polystyrene Melts
AU - Yuya Doi
AU - Takeshi Sato
AU - Zhi-Chao Yan
PY - 2026
DA - 2026/10/22
PB - ChemRxiv
DO - 10.26434/chemrxiv.15007177/v2
UR - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15007177/v2
AB - Multi-cyclic (MC) polymers, in which multiple ring units are connected within a single molecule, are expected to exhibit properties distinct from those of linear and trivial ring polymers. Here, we performed graph-theory-based bead-spring model calculations for a series of unentangled MC polystyrene (MC-PS) melts with different chain connectivities and compared the results with previously reported experimental linear viscoelastic data. This calculation allows for the comparison of linear viscoelasticity among different MC molecules using a single, architecture-independent time-scale. The distribution and multiplicity of the eigenvalues λ p at mode number p , which determine the relaxation times through τ p ∝ 1/ λ p , of the MC molecules depends strongly on the architecture and its overall symmetry. In addition, the model reasonably captured the experimental linear rheological behavior of the MC-PS melts, including the complex modulus G * ( ω ) and the zero-shear viscosity η 0 , although the experimental data have modest differences. Furthermore, we found that the architecture dependence of η 0 can be semi-quantitatively organized using the squared radius of gyration calculated from the bead-spring model, R g,BS 2 , rather than relying only on the number of constrained segments, n cs , which has been used as an empirical architectural parameter in previous studies. This descriptor also distinguishes MC architectures with the same n cs but different rheological responses, demonstrating that chain connectivity provides a physically grounded basis for describing the linear viscoelasticity of unentangled MC polymer melts.
ER -