Formation mechanism of Pickering emulsion gels stabilized by proanthocyanidin particles: Experimental and molecular dynamics studies

Abstract

The feasibility of constructing a Pickering emulsion gel with proanthocyanidin particles (PAP) was evaluated in this study, and the related mechanism was revealed by combining instrumental characterization with molecular dynamics simulation. The results showed that PAP was composed of nano/micron spherical particles or their fragments, which had excellent wettability. Suitable PAP addition amount (w, ≥1%) and oil volume fraction (φ, 40-90 %) were beneficial to the formation of stable Pickering emulsion gel. The oil droplet size of gel was inversely proportional to w and φ. The mechanical parameters (gel strength, loss modulus, and storage modulus) were positively correlated with w and φ. Molecular dynamics simulation indicated that the proanthocyanidin molecules in the oil-water system could spontaneously reside and aggregate at the interface, and their interactions with water and oil reduced interfacial tension, which was consistent with the experimental results. This study provides a reference for other polyphenol-based Pickering emulsions.

Keywords: Interface behavior; Mechanical properties; Molecular dynamics; Pickering emulsion; Proanthocyanidin.