Enhancing Compatibility and Performance of Biobased BEE/PLA Composites: A Combined Molecular Dynamics and...

Area of Science:

• Materials Science
• Polymer Science
• Biomaterials Engineering

Background:

• Petroleum resource depletion drives demand for renewable biobased materials.
• Biobased engineered elastomers (BEEs) offer biodegradability and tunable properties as synthetic rubber alternatives.
• Polylactic acid (PLA) is a key biodegradable polymer derived from biomass.

Purpose of the Study:

• To design high-performance composites using fully degradable PLA and BEE.
• To investigate the effect of high-molecular-weight compatibilizers (HCMPs) on BEE/PLA composite compatibility and performance.
• To provide a theoretical basis for developing advanced biobased composites.

Main Methods:

• Coarse-grained molecular dynamics simulations to study phase structure evolution and compatibility.
• Systematic analysis of composite dispersion, chain dynamics, and mechanical properties.
• Experimental evaluation using thermal analysis and mechanical testing, with epoxidized soybean oil (ESO) as the HCMP.

Main Results:

• Molecular dynamics simulations revealed the microscopic phase structure evolution and compatibility correlations with HCMP addition.
• Epoxidized soybean oil (ESO) enhanced composite capacity through ring-opening reactions and cross-linking.
• Comprehensive analysis showed improved dispersion, altered chain dynamics, and enhanced mechanical properties.

Conclusions:

• High-molecular-weight compatibilizers significantly improve the compatibility and overall performance of BEE/PLA composites.
• The study provides a theoretical foundation for designing high-performance biobased composites.
• A novel approach for investigating biobased composite interfaces was proposed, combining simulation and experimentation.