Multiphase Interfacial Properties involved Surface-Active Agents

University of Alberta, Ph.D Program

• Simulated the distribution and roles of surface-active agents at the multiphase-interfaces (liquid-liquid, liquid-gas, liquid-solid) using the molecular dynamics simulation software GROMACS and LAMMPS.
• Developed the in-house C and MATLAB codes to analyze the configurational (atomic scale) and thermodynamics (macro-scale) properties.
• Provides a theoretical foundation in designing surfactant formulas in practical industrial problems towards carbon-net zero society.