Journal Article

FZJ-2019-00489

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Mesoscale Simulations of the Rheology of Filled Styrene-Butadiene Compounds

Fitzgerald, B. W. (Corresponding author) ; den Otter, W. K. ; Luding, S. ; Briels, W.FZJ*

2018
Wiley-VCH Weinheim

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Please use a persistent id in citations: doi:10.1002/mats.201800014

Abstract: The ability of a highly coarse‐grained polymer model is explored to simulate the impact of carbon black (CB) filler concentration on the rheological properties of unvulcanized styrene–butadiene melts—an intermediate stage in the production of styrene–butadiene rubber (SBR) commonly used in tyres. Responsive particle dynamics (RaPiD), previously used to study dilute polymeric systems, models entire polymers as single particles interacting through a combination of conservative interactions and transient entanglement‐mimicking forces. The simulation parameters are tuned to the linear rheology of the unfilled melt, as measured using a rubber process analyzer (RPA). For the filled compounds, only the interaction between the polymers and fillers is varied. On top of excluded volume interactions, a slight attraction (≈0.1 kBT) between polymers and fillers is required to attain agreement with RPA measurements. The physical origins of the small strength of this interaction are discussed. This method offers potential for future numerical investigations of filled melts.

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Contributing Institute(s):

1. Weiche Materie (ICS-3)

Research Program(s):

1. 551 - Functional Macromolecules and Complexes (POF3-551) (POF3-551)

Appears in the scientific report 2018

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Database coverage:
; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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