Molecular Dynamics Simulation and Experimental Investigation of Silicon Oil-Water Dispersion Mass Transfer Interface

In this work, silicone oil and deionised water were selected as test materials. The interface area between the dispersed phase and the continuous phase in the silicone oil-water mixture was observed by CCD industrial camera and an optical microscope, Through these experiments, we found that without the assistance of surfactants, silicone oil and water still showed mass transfer after mixing. The mass transfer in the interface area caused the interface to be fuzzy, and this fuzzy boundary was called the “dispersion circle”. At the same time, from a mesoscopic perspective, combined with computer technology, the method of dissipative particle dynamics was used to simulate and track the deformation law of droplets and the interaction mode between droplets during the phase transition of the oil-water mixture. To explain the formation mechanism of association matter that occurs at the silicone oil-water dispersion interface, the molecular dynamics method was used to simulate the dynamic process of silicone oil-water dispersion mass transfer by establishing a silicone oil and water molecular model. We analysed the silicone oil-water microscopic molecular structure at the blending interface as well as the interaction mode between the molecules and the molecular structure change at the interface.