(400f) Predicting Emulsions Stability Using Coarse-Grained Simulations
AIChE Annual Meeting
2019 AIChE Annual Meeting
Engineering Sciences and Fundamentals
Emulsions and Foams
Tuesday, November 12, 2019 - 4:45pm to 5:00pm
We present here recent advances obtained via the implementation of the coarse-grained Dissipative Particle Dynamic simulation framework, DPD. First, we document a robust workflow useful for determining the parameters to describe immiscible liquids containing surfactants. Starting from the Hansen theory of solutions, we obtained a model able to reproduce experimental water/oil interfacial tension as well as the micellar properties of aqueous non-ionic surfactants representative of the octyl polyethylene oxide family. Then we demonstrate how DPD can be used to describe the Ostwald ripening phenomenon in an emulsion. The DPD simulation results are consistent with theoretical expectations, as well as with experimental observations. Finally, investigate the competition between surfactants and particles for adsorption at a water/oil interface. The results are compared against recent experimental observations.