Quantitative Study on the Aggregated Distribution State and Emulsification Driving Force of NADES-based Microemulsion

The dissipative particle dynamics (DPD) method is used to explore the aggregated distribution state and the interaction energy of Natural Deep Eutectic Solvent (NADES) (lactic acid/glucose/H2O)/Tween-20/methanol/ cyclohexane microemulsion system. The phase transformation point of the system is determined by combining the change of IFT value and aggregated distribution state, which is used to draw the simulated phase diagram of the microemulsion system. The results show as follows: Surfactants have a restrictive effect on the distribution of microemulsion components, and the increase in the proportion of surfactants gradually restricts the molecular movement of cyclohexane. When the surfactant mass fraction reaches the threshold of 56.25%, the properties of the system change qualitatively, and the cyclohexane/NADES microemulsion is formed. The interaction energy of methanol-Head group and cyclohexane-Tail group is the main driving force for the formation of the microemulsion system.