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Area of Science:

  • Multiscale modeling
  • Fluid dynamics
  • Surface science

Background:

  • Simulating nanoscale phenomena requires advanced computational models.
  • Surfactant behavior at interfaces influences macroscopic properties.
  • Fluctuating hydrodynamics captures thermal effects crucial at the nanoscale.

Purpose of the Study:

  • To develop a multispecies diffuse interface model for nanoscale surfactant interfaces.
  • To investigate the impact of surfactants on surface tension and Marangoni convection.
  • To analyze the role of thermal fluctuations on surfactant-driven phenomena.

Main Methods:

  • Formulation of a diffuse interface model within a fluctuating hydrodynamics framework.
  • Utilizing Cahn-Hilliard free energy density for ternary mixtures.
  • Incorporating deterministic and stochastic terms in dissipative fluxes.
  • Performing Laplace pressure measurements and capillary wave spectrum analysis.
  • Conducting non-equilibrium simulations of Rayleigh-Plateau instability.

Main Results:

  • The model shows surface tension decreases linearly with surfactant concentration.
  • Marangoni convection is observed for interfaces with concentration gradients.
  • Capillary wave spectra deviate from classical theory due to Gibbs elasticity.
  • Surfactants delay Rayleigh-Plateau instability pinching in deterministic simulations.
  • Thermal fluctuations disrupt surfactant stabilization and suppress Marangoni-driven spreading.

Conclusions:

  • The developed model accurately simulates nanoscale surfactant interface dynamics.
  • Gibbs elasticity significantly alters capillary wave behavior.
  • Thermal fluctuations play a critical role in modulating surfactant effectiveness at the nanoscale.