Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Investigating the Role of Miscibility in Hydrogenated Dicyclopentadiene Resin/Polymer Blends: A Molecular Dynamics Study
Δημιουργός/Συγγραφέας:	[EL] Ρισάνου, Αναστασία[EN] Rissanou, Anastassia Ghanta, Rohit Doxastakis, Manolis Harmandaris, Vagelis
Ημερομηνία:	2026-02-28
Γλώσσα:	Αγγλικά
ISSN:	2073-4360
DOI:	10.3390/polym18050594
Άλλο:	41829292
Περίληψη:	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.
Τίτλος πηγής δημοσίευσης:	Polymers
Τόμος/Κεφάλαιο:	18
Τεύχος:	5
Θεματική Κατηγορία:	[EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry [EL] Οργανική χημεία[EN] Organic chemistry
Λέξεις-Κλειδιά:	H-DCPD resin PI SBR miscibility molecular dynamics
Κάτοχος πνευματικών δικαιωμάτων:	© 2026 by the authors. Licensee MDPI, Basel, Switzerland.
Όροι και προϋποθέσεις δικαιωμάτων:	This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license.
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://doi.org/10.3390/polym18050594
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο