Grafting silica onto reduced graphene oxide via hydrosilylation for comprehensive rubber applications: Molecular simulation and experimental study

Abstract

The development of multifunctional rubber composites and the dispersion of fillers are always a focus in the industrial field of tires. In this work, supported by predictions from molecular simulations, reduced graphene oxide grafted with silica (rGO‐g‐SiO2) is fabricated through hydrosilylation. Structural and morphological characterization shows that SiO2 is present at the rGO surface. rGO‐g‐SiO2 was subsequently applied to enhance the performance of solution polymerized styrene butadiene rubber (SSBR) composites. As predicted from simulations, the mechanical and thermal properties of rGO‐g‐SiO2/SSBR are found to be improved due to an enhanced interfacial interaction and higher degree of phonon matching. In particular, with a 1.5% weight percentage of rGO, the reinforcing index and thermal conductivity of 1.5%‐rGO‐g‐SiO2/SSBR are found to be 168.7% and 114.0% higher than that for 1.5%‐rGO/SiO2/SSBR (physical mixture), respectively. The reinforced integrated performance is promising for the potential application of rGO‐g‐SiO2 as a filler for rubber composites.

Molecular dynamics simulation and experimental verification of the effects of vinyl silicone oil viscosity on the mechanical properties of silicone rubber foam

“…In general, a higher the E binding indicates a stronger the attraction between the system components, better system compatibility, and a more stable the blend system. The E binding is calculated as follows: 38,39…”

Compressible zinc‐ion hybrid supercapacitor and piezoresistive sensor based on reduced graphene oxide/polypyrrole modified melamine sponge

“…The ratio of D band intensity to G band intensity of rGO@MS (I D /I G = 0.84) is smaller than that of GO@MS (I D /I G = 1.17), demonstrating that rGO@MS has a higher degree of graphitization than that of GO@MS because GO has been effectively reduced. [29] The characteristic peaks of PPy are present in the Raman spectrum of PPy/rGO@MS-20, including C C stretching of PPy backbone at 1566 cm À1 , antisymmetrical C N stretching at 1368 cm À1 , symmetrical C H in-plane bending at 1053 cm À1 , and ring in-plane deformation at 975 cm À1 . [30] The XPS spectra of GO@MS and rGO@MS are shown in Figure 3B,C, respectively.…”

Hydroxy silicone oil modified boron nitride for high thermal conductivity and low dielectric loss silicone rubber composites: experimental and molecular simulation studies

“…, Si20) corresponds to higher E binding values and the lowest MSD values. To better quantitatively characterize the molecular chain motility, the diffusion coefficients ( D ) of the four systems were also calculated by MD simulations as follows: 58 where s is the slope of the mean square displacement curve for the BN/SiR system and t represents the time of particle motion. The magnitude of the D value in Fig.…”