Multiscale Modeling and Simulation Platform for Materials and Life Sciences

J-OCTA

Multiscale Modeling and Simulation Platform for Materials and Life Sciences

J-OCTA

Simulation
Dissipative Particle Dynamics
Surfactant
Interfacial Tension
Emulsification

Effect of Surfactants for Interfacial Tension

Surfactants enable water and oil to mix (emulsification). Dissipative Particle Dynamics (DPD) simulations were performed with surfactants included at the interface, followed by relaxation calculations. It was evaluated that increasing surfactant density reduced interfacial tension and caused collapse of the interfacial shape.
Use Cases Highlights
  • Analysis of interfacial tension using DPD
  • Evaluation of the effect of surfactant density
  • Evaluation of emulsification processes

Interface analysis using DPD

Effect of surfactant density on interfacial shape is shown. Higher density reduces interfacial tension and causes collapse of the interface.

Change in interfacial shape by surfactants

Evaluation of interfacial tension

The relationship between surfactant density and interfacial tension is shown. Interfacial tension was calculated from stress values in each direction. As density increases, interfacial tension decreases, allowing evaluation of surfactant effects.

Relationship between surfactant amount and interfacial tension
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