Effect of interface on the mechanical behavior of polybutadiene–silica composites: An experimental and simulation study

Abstract

The effect of interface property on the mechanical behavior of silica-polybutadiene composites is systematically investigated via combined experimental and dynamics simulation. In experiment, the interface property is controlled by SiO 2 particle size, silane coupling agents, and silane grafting density. The effects of these control parameters on the vulcanization kinetics, tensile strength, and dynamic mechanic properties are investigated and discussed. Both the experimental and simulation studies reveal the pivot role of filler-polymer interface on the mechanical reinforcement. Simulation study reveals that the constrained polymer layer (12 nm) surrounding the silica particles shows increased stress from 30 to 230 MPa, which is identified as the major reason for the overall enhancement of 100% modulus from 0.8 to 1.6 MPa. The molecular mechanics of interface from simulation is well correlated to the experimental results in this study, which provides a molecular level understanding of the relationship between interfacial interaction and mechanical reinforcement.

Dynamic tensile and shear storage moduli of PEG/silica‐polymorph composites

“…As a result of previous research, there has been a fast growth in the production of ceramic‐based polymer matrix composites. Examples of such composites are SiO 2 ‐poly(ethylene glycol) (PEG)‐3‐isocyanate‐propyltrietoxysilane, silica–polymer system, poly(vinyl alcohol)–Fe 3 O 4, and Al 2 O 3 –polymer matrix . However, the above applications imperatively require a thorough knowledge of how external forces and temperature affect the behavior of the composites.…”

Viscoelasticity and Dynamics of Intercalated Polymer/Bentonite Nanocomposites

“…In consequence, the rubbery modulus now decreased, as shown in the van Gurp‐Palmen plots of Figure . This behavior mimics that of nanosilica–polymer composites with tunable interactions, where the degree of confinement between nanoplatelets plays the role of the constraining layer in silica …”

“…Confinement in polymer nanocomposites occurs when 1) polymer chains are constrained between layered silicates, 2) polymer chains are inside nanopores or nanocylinders, or 3) inorganic nanoparticles and hybrids (i.e., silica, alumina, POSS, and so on) dispersed in a polymer matrix where polymer fractions would have reduced mobility due to being tightly bound to the nanoparticles or in highly confined regions between closely packed nanoparticles …”

“…Hence, 2 R < d defines a weak confined system whereas 2 R >> d defines a strongly confined system, where R is the polymer dimension (e.g., radius of gyration or hydrodynamic radius) and d is the pore diameter or gallery spacing, as depicted in Scheme . Finally, polymer–solid interface (nanoparticle) interactions which can be attractive or repulsive play a prominent role defining the properties in a nanocomposite; the picture is quite complex.…”

“…Regions of fast and slow dynamics were also detected in polymers confined to nanopores . Ji et al reported the tuning of silica–polymer interaction and the consequent mechanical reinforcement, and identified an interface with much greater modulus than the matrix . Rubinstein and co‐workers reported slowdown of reptation dynamics of polymers near attractive solid interfaces …”