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  • Study of mechanical properties and dispersion in silica/SBR nanocomposites using MD simulations
Study of mechanical properties and dispersion in silica/SBR nanocomposites using MD simulations

Study of mechanical properties and dispersion in silica/SBR nanocomposites using MD simulations

Date26th Mar 2021

Time02:30 PM

Venue Through Google Meet: https://meet.google.com/vuk-cmwa-cxc

PAST EVENT

Details

Various factors which affect the strength and dispersion of nanoparticles (NP) in silica-Styrene Butadiene Rubber (SBR) nanocomposites are determined using molecular dynamics simulations. Factors such as size of silica NP, type of Silane Coupling Agent (SCA), surface occupancy of SCA at the silica surface and spatial distribution of sulphur cross-links at a molecular scale are considered. Various parameters like peak normal traction, strength modulus, interface energy, radius of gyration and distance between NP of different systems were monitored to determine which factors significantly influence the strength and the dispersion of NP. It was found that the strength increased with both the size and volume fraction of the NP. The size of the NP or the type of the SCA did not affect the dispersion at all. The dispersion of NP was found to significantly depend on the surface occupancy of a given SCA. Furthermore, introduction of sulphur cross-links farther from the NP increased the tensile strength of the nanocomposite, than if they were closer to the NP. This result indicates that controlling the distribution of sulphur cross-links can have a major influence on the strength of the nanocomposite.

Speakers

Mr. Edwin Joseph (ME16D404)

Department of Mechanical Engineering