Enhanced Interfacial Integrity for Chain Growth Polymer Carbon Fiber Composites via Surface-Initiated Polymerization

Area of Science:

• Materials Science
• Polymer Chemistry
• Computational Materials Science

Background:

• The carbon fiber (CF) to polymer matrix interface is crucial for load transfer in CF-reinforced polymer composites.
• Surface functionalization improves interfacial integrity in epoxy-based composites, but applications in vinyl ester resins are limited.
• Challenges exist in experimentally evaluating and optimizing interfaces in chain-growth polymerization-based composites.

Purpose of the Study:

• To introduce a concept for systematically enhancing and tailoring interfacial mechanical properties of vinyl ester composites.
• To investigate the role of surface-grown polymers in improving interfacial integrity.
• To provide molecular-level insights for optimizing composite interfaces.

Main Methods:

• All-atom molecular dynamics simulations were employed to study the interfacial behavior.
• The study focused on short, surface-grown polymers grafted onto the carbon fiber surface.
• Analysis centered on the cross-linking network within surface-grown chains and between surface chains and the bulk resin.

Main Results:

• The complexity of the cross-linking network significantly impacts interfacial mechanical response under shear.
• Both intra-chain cross-linking and inter-chain cross-linking to the bulk resin are critical for a robust interface.
• Molecular insights highlight the importance of network architecture for interfacial strength.

Conclusions:

• Surface-initiated polymerization with short polymers offers a viable strategy to enhance interfaces in vinyl ester composites.
• Understanding cross-linking network intricacies provides practical guidance for interface optimization.
• This approach expands the application potential of challenging chain-growth resin-based composites.