Stabilization mechanism of different emulsifiers using dissipative particle dynamic simulation

Abstract

Understanding the effects of the emulsifiers hydrophobic structure on the interfacial properties and dynamic processes of emulsions is critical for the formation of stable emulsions. In this study, three emulsifiers (OSA-modified starch, Tween 80/Span 80 and lecithin) with different numbers of hydrophobic beads were selected to construct nanoemulsions, and their effects on emulsion properties and oil–water interface behavior were studied by experiment combined dissipative particle dynamics (DPD) simulation method. Experimental results such as particle size, potential, interfacial tension and emulsification index showed significant stability differences among the three nanoemulsions. Using formation process and interfacial tension analyses obtained by DPD simulation, we found that the interfacial characteristics of different emulsifiers were different. The cross-sectional graph and isodensity profiles revealed that of the three emulsifiers, lecithin provided the best protection against curcumin. Based on density and root-mean-square (RMS) analysis, we posit that the number of hydrophobic beads in the emulsifier is the main factor affecting the interfacial behavior of the emulsifier, resulting in stability differences among the three emulsions.