Investigating the Role of Miscibility in Hydrogenated Dicyclopentadiene Resin/Polymer Blends: A Molecular Dynamics Study.
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| Title: | Investigating the Role of Miscibility in Hydrogenated Dicyclopentadiene Resin/Polymer Blends: A Molecular Dynamics Study. |
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| Authors: | Rissanou, Anastassia N.1 (AUTHOR) trissanou@eie.gr, Ghanta, Rohit2 (AUTHOR), Doxastakis, Manolis2,3 (AUTHOR), Harmandaris, Vagelis3,4,5 (AUTHOR) |
| Source: | Polymers (20734360). Mar2026, Vol. 18 Issue 5, p594. 16p. |
| Subjects: | Miscibility, Molecular dynamics, Viscoelasticity, Polyisoprene, Gums & resins, Polymer blends, Styrene-butadiene rubber, Glass transition temperature |
| Abstract: | The behavior and properties of polymer–resin blends are critical for the design of advanced polymeric systems in a wide range of applications. In this work, we present an atomistic molecular dynamics study of the effects of hydrogenated dicyclopentadiene (H-DCPD) resin on the structural, dynamical, and viscoelastic properties of polymer matrices. Two different systems are examined: linear 1,4-cis polyisoprene (PI) and a four-component styrene–butadiene rubber (SBR) copolymer. The results reveal lower miscibility of H-DCPD resin in PI compared to that in SBR, as evidenced by the formation of resin-rich domains, revealed by the magnitude of local peaks in resin–resin radial distribution functions. Temperature-dependent analysis shows that structural and dynamical properties are most sensitive at ambient conditions (T = 300 K, P = 1 atm), with PI exhibiting significantly reduced molecular mobility due to its proximity to the glass transition temperature. This restricted dynamics directly influences the viscoelastic response, leading to increased structural rigidity upon resin addition. Furthermore, the effect of resin concentration is systematically assessed, demonstrating that, while 17 vol% resin has a negligible impact on both systems, increasing the concentration to 34 vol% in PI, results in pronounced changes in its structural and viscoelastic behaviors. Overall, this study highlights atomistic molecular dynamics simulations as powerful predictive tools for the rational design of resin–elastomer blends. [ABSTRACT FROM AUTHOR] |
| Copyright of Polymers (20734360) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
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| Header | DbId: egs DbLabel: Engineering Source An: 192641895 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Investigating the Role of Miscibility in Hydrogenated Dicyclopentadiene Resin/Polymer Blends: A Molecular Dynamics Study. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Rissanou%2C+Anastassia+N%2E%22">Rissanou, Anastassia N.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> trissanou@eie.gr</i><br /><searchLink fieldCode="AR" term="%22Ghanta%2C+Rohit%22">Ghanta, Rohit</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Doxastakis%2C+Manolis%22">Doxastakis, Manolis</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Harmandaris%2C+Vagelis%22">Harmandaris, Vagelis</searchLink><relatesTo>3,4,5</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Polymers+%2820734360%29%22">Polymers (20734360)</searchLink>. Mar2026, Vol. 18 Issue 5, p594. 16p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Miscibility%22">Miscibility</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Viscoelasticity%22">Viscoelasticity</searchLink><br /><searchLink fieldCode="DE" term="%22Polyisoprene%22">Polyisoprene</searchLink><br /><searchLink fieldCode="DE" term="%22Gums+%26+resins%22">Gums & resins</searchLink><br /><searchLink fieldCode="DE" term="%22Polymer+blends%22">Polymer blends</searchLink><br /><searchLink fieldCode="DE" term="%22Styrene-butadiene+rubber%22">Styrene-butadiene rubber</searchLink><br /><searchLink fieldCode="DE" term="%22Glass+transition+temperature%22">Glass transition temperature</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: The behavior and properties of polymer–resin blends are critical for the design of advanced polymeric systems in a wide range of applications. In this work, we present an atomistic molecular dynamics study of the effects of hydrogenated dicyclopentadiene (H-DCPD) resin on the structural, dynamical, and viscoelastic properties of polymer matrices. Two different systems are examined: linear 1,4-cis polyisoprene (PI) and a four-component styrene–butadiene rubber (SBR) copolymer. The results reveal lower miscibility of H-DCPD resin in PI compared to that in SBR, as evidenced by the formation of resin-rich domains, revealed by the magnitude of local peaks in resin–resin radial distribution functions. Temperature-dependent analysis shows that structural and dynamical properties are most sensitive at ambient conditions (T = 300 K, P = 1 atm), with PI exhibiting significantly reduced molecular mobility due to its proximity to the glass transition temperature. This restricted dynamics directly influences the viscoelastic response, leading to increased structural rigidity upon resin addition. Furthermore, the effect of resin concentration is systematically assessed, demonstrating that, while 17 vol% resin has a negligible impact on both systems, increasing the concentration to 34 vol% in PI, results in pronounced changes in its structural and viscoelastic behaviors. Overall, this study highlights atomistic molecular dynamics simulations as powerful predictive tools for the rational design of resin–elastomer blends. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Polymers (20734360) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.3390/polym18050594 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 16 StartPage: 594 Subjects: – SubjectFull: Miscibility Type: general – SubjectFull: Molecular dynamics Type: general – SubjectFull: Viscoelasticity Type: general – SubjectFull: Polyisoprene Type: general – SubjectFull: Gums & resins Type: general – SubjectFull: Polymer blends Type: general – SubjectFull: Styrene-butadiene rubber Type: general – SubjectFull: Glass transition temperature Type: general Titles: – TitleFull: Investigating the Role of Miscibility in Hydrogenated Dicyclopentadiene Resin/Polymer Blends: A Molecular Dynamics Study. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Rissanou, Anastassia N. – PersonEntity: Name: NameFull: Ghanta, Rohit – PersonEntity: Name: NameFull: Doxastakis, Manolis – PersonEntity: Name: NameFull: Harmandaris, Vagelis IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 03 Text: Mar2026 Type: published Y: 2026 Identifiers: – Type: issn-print Value: 20734360 Numbering: – Type: volume Value: 18 – Type: issue Value: 5 Titles: – TitleFull: Polymers (20734360) Type: main |
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