Study on structures, dynamics and mechanical properties of styrene butadiene rubber (SBR)/silica interfaces: A fully atomistic molecular dynamics

Zhou, Mengyu; Li, Jun; Hou, Guanyi; Yang, Haibo; Zhang, Liqun

doi:10.1016/j.polymer.2021.123523

Cited by 25 publications

(18 citation statements)

References 37 publications

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“…The addition of nanoparticles into the polymer matrix could significantly enhance the mechanical properties. 1–11 Long et al proposed that polymer chains can form binding layers around nanoparticles, which are like carbon-reinforced rubber. 12,13 An alternative explanation proposed by Goritz and Sternstein was that polymer chains can form a “bridge” between nanoparticles, allowing the formation of a percolation network in the system.…”

Section: Introductionmentioning

confidence: 99%

Tough and self-healing hydrogels based on transient crosslinking by nanoparticles

et al. 2022

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Section: Introductionmentioning

confidence: 99%

Tough and self-healing hydrogels based on transient crosslinking by nanoparticles

et al. 2022

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“…Significant insight into the dynamic properties of polymer nanocomposites has also been obtained from molecular simulations which seem to indicate that important dynamic heterogeneities emerge in polymer nanocomposites for nanoparticles of different types and for various host polymer matrices. − Atomistic-level simulations have found extensive use in the study of such systems due to the detailed and precise representation of the chemical structure of the system. − A good example is the early molecular dynamics (MD) study of Barbier et al of PEG oligomers filled with small spherical silica nanoparticles, where all components of the nanocomposite were represented in full atomistic detail. According to their work, the strong adsorption of PEG chains on the silica nanoparticles leads to the formation of a tight adsorbed layer, whose density and local dynamics are significantly altered compared to the bulk.…”

Section: Introductionmentioning

confidence: 99%

Individual Contributions of Adsorbed and Free Chains to Microscopic Dynamics of Unentangled poly(ethylene Glycol)/Silica Nanocomposite Melts and the Important Role of End Groups: Theory and Simulation

et al. 2021

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Molecular dynamics simulations and Rouse theory suitably adapted for polymer chains adsorbed by one or both of their ends are combined to offer a quantitative description of the local structure and microscopic dynamics in attractive polymer nanocomposite melts using a poly(ethylene glycol) (PEG)/silica nanocomposite as a model system. Our work reveals that the adsorbed layer around the silica nanoparticle is far from being characterized as “glassy” or “immobilized” since adsorbed polymer segments in the form of tails and loops on silica exhibit appreciable mobility locally, which helps adsorbed chains to relax at short length scales, albeit rather slowly. The simulations also reveal significant differences in the structural and dynamic properties of the PEG/silica nanocomposite melts studied for different terminal groups (hydroxyl versus methoxy) of the PEG chains, originating from the different ways that polymer chains adsorb on the silica surface: hydroxyl-terminated PEG chains are adsorbed by their ends giving rise to a brush-like structure, whereas methoxy-terminated ones are adsorbed equally probably along their entire contour, thus resulting in better packing of adsorbed segments. Due to the dense interfacial layer that develops in both cases, the diffusive behavior of free chains is also affected (it slows down compared to that in the corresponding pure PEG melt), especially in the nanocomposite where PEG chains are terminated with hydroxyl groups. Direct comparison of simulation and theoretical predictions with previously reported experimental data in the literature for the dynamic structure factor [Glomann et al., Phys. Rev. Lett. 2013, 110, 178001] for the same systems under the same temperature and pressure conditions reveals excellent agreement.

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“…These phenomena give EPDM a decisive technological advantage in applications, such as surfaces of sports facilities. In addition, another great rubber material for practical use in these is styrene butadiene rubber (SBR) as it has elasticity, frictional resistance, and mechanical strength similar to EPDM [18][19][20]. SBR is formed in the polymerization process, which allows for the production of a low reactive viscosity material with all the features of natural rubber, and was firstly developed in the 1930s by Interessen-Gemeinschaft Farbenindustrie AG in Germany [21][22][23].…”

Section: Introductionmentioning

confidence: 99%

Safety Comes First: Novel Styrene Butadiene Rubber (SBR) and Ethylene Propylene Diene Monomer (EPDM) Surfaces as a Response to Sport Injuries

et al. 2021

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An athlete’s performance depends not only on the shoes they wear but also on the surface used in sports facilities. In addition, it can significantly contribute to reducing injuries, which are easy to get during sports competitions. In the present study, we wanted to investigate whether recycled styrene butadiene rubber (SBR) and ethylene propylene diene monomer (EPDM) could be used in the production of sports surfaces. For this purpose, we designed three different sports surfaces: (1) SBR covered with a thin EPDM spray layer on the top, (2) clean EPDM, and (3) bottom SBR layer with the top layer of EPDM. The test program of these surfaces included in its scope: shock absorption, vertical deformation, tensile strength, abrasion resistance, and slip resistance tests. Our research also involved the influence of the substrate under surface, temperature, and surface conditions. Presented results show that both materials, in the right proportions, can be used in the production of sports surfaces.

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Study on structures, dynamics and mechanical properties of styrene butadiene rubber (SBR)/silica interfaces: A fully atomistic molecular dynamics

Cited by 25 publications

References 37 publications

Tough and self-healing hydrogels based on transient crosslinking by nanoparticles

Tough and self-healing hydrogels based on transient crosslinking by nanoparticles

Individual Contributions of Adsorbed and Free Chains to Microscopic Dynamics of Unentangled poly(ethylene Glycol)/Silica Nanocomposite Melts and the Important Role of End Groups: Theory and Simulation

Safety Comes First: Novel Styrene Butadiene Rubber (SBR) and Ethylene Propylene Diene Monomer (EPDM) Surfaces as a Response to Sport Injuries

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