Emulsion is a thermodynamically unstable dispersion system composed of two or more incompatible liquids. Oil-water emulsion is one of the most common colloidal systems applied in daily life and industrial applications, and has a wide range of applications in food, medicine, petrochemical and other fields. The self-assembly process of emulsion system, elucidation of emulsification mechanism, and emulsion stability have always been the focus and challenges of emulsion research. The complex process of emulsion formation and stabilization involves a variety of forces. The emulsification process can be divided into two steps, that is, the particles approach and contact the two-phase interface, and the particles are adsorbed to the two-phase interface and are fixed on it. Alfa Chemistry applies simulation tools to accurately simulate and predict the process of formation and stability of emulsions.
Figure 1. Snapshot pictures during molecular dynamics (MD) simulations of assembly of oil-based esters (PKOEs) nano-emulsions at t = 0 ns, 3 ns, 18 ns, 25 ns. (Faujan, N. H.; et al. 2015)
We perform multiscale molecular dynamics simulation study on the prediction of assembly of emulsions by investigating assembly mechanism of emulsion systems. Our scientists focus on the following factors that effect the assembly of emulsions:
1. Hydrophilic chain length and chain distribution at the oil-water interfaces
2. Formation of interface films
At Alfa Chemistry, molecular dynamics (MD) simulations are used to reveal the characterization of the interactions and microstructures in the emulsion, and reveal the stabilization mechanism of the oil-water interface. Our MD simulation method reveals the process of oil-water emulsification and demulsification, and explores the process of molecular adsorption, droplet coalescence and droplet separation on a micro-scale.
Figure 2. Molecular dynamics simulation insight into interfacial stability property of microemulsions. (Jule,M.; et al. 2019)
Our prediction of assembly and stability of emulsions services remarkably reduce the cost, promote further experiments, and enhance the understanding of chemical process for customers worldwide. Our personalized and all-around services will satisfy your innovative study demands. If you are interested in our services, please don't hesitate to contact us. We are glad to cooperate with you and witness your success!