Multi-scale modelling of carbon nanotube reinforced crosslinked interfaces

In this paper, we study the crosslinking route and interfacial interactions for achieving superior properties in carbon nanotube (CNT)-reinforced epoxy-based nanocomposites by using multi-scale modelling. For that purpose, polymeric epoxy matrices consisting of EPON 862 epoxy and TETA hardener molecules were coarse-grained and simulated using the dissipative particle dynamics (DPD) method. Furthermore, CNTs were coarse-grained as rigid rods and embedded into the uncrosslinked mesoscopic polymer system. Reverse-mapping of the atomistic details onto the coarse-grained models was carried out to allow further simulations at the atomistic scale using molecular dynamics (MD) while keeping the periodicity of the CNTs’ structure. The mechanism of crosslinking was simulated, and both neat and CNT-reinforced thermoset nanocomposites with different degrees of crosslinking were reconstructed. Normal stresses in both tensile and compressive loading directions (up to 0.2% strain) were calculated, and the yield strength (at 0.2% offset) and compressive/elastic modulus in both normal directions are reported, which match well with experimental values. Overall, this paper explores a fast and straightforward procedure to bridge periodic mesoscopic structures, such as CNTs and their nanocomposites, to experimentally tested material properties

Stable electrospinning composition for stable nano-/submicrostructure production and preparation method thereof

The present invention proposes an electrospinning composition comprising a catalyst and a functionalized polymer or copolymer bearing one or more epoxy ring, said mixture further comprises an anhydride, preferably phthalic anhydride as a crosslinking agent; wherein the epoxy:anhydride molar ratio in the electrospinning composition is within the range between 1:1 and 50:1. The present invention further proposes a method for preparation of such electrospinning composition, electrospun nano/ submicrostructures prepared using said method and composite material comprising such electrospun nano/ submicrostructures

Structural composites hybridized with epoxy compatible polymer/MWCNT nanofibrous interlayers

Surface reactive P(St-co-GMA) copolymer and P(St-co-GMA)/MWCNT fibrous mats are placed onto a conventional carbon fiber/epoxy prepreg as interlayer reinforcing material. Experimental observations are used to demonstrate excellent epoxy wetting and structural compatibility of the interlayers chemically tuned for the epoxy matrix. Comparisons of increase in mechanical performance by incorporating P(St-co-GMA) and P(St-co-GMA)/MWCNT interlayers also show the contribution of MWCNT presence in the copolymer nanofibers. Flexural strength and stiffness of (0/0/0) and (90/0/90) laminates increase up to 17% when the nanocomposite interlayers are integrated. Cross-sectional SEM analyses of the failure surfaces suggest reinforcing ability of interlayers both against transverse cracking and delamination. Further examination for the delamination resistance is presented by the End Notched Flexure (ENF) tests. An improvement up to 70% in mode II strain energy release rate (G(IIc)) is recorded for the laminates with nanocomposite interlayers. The resistance against transverse matrix cracking in the presence of interlayers is also elaborated. Charpy-impact and transverse-tension tests result in up to 20% and 27% increase in the impact energy absorbance and transverse tensile strength, respectively. Overall, the test results suggest that mechanical behavior of the laminates is enhanced by the nanofibrous interlayers chemically-tuned for epoxy crosslinking, with no weight penalty