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Anionic surfactant solutions under shear using dissipative particle dynamics.

Rachel Hendrikse1,2, Andrew Bayly1, Peter Jimack2,3

  • 1School of Chemical and Process Engineering, University of Leeds, Leeds LS2 9JT, United Kingdom.

The Journal of Chemical Physics
|June 7, 2023
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Summary
This summary is machine-generated.

Dissipative particle dynamics simulations reveal surfactant solution rheology. Micellar solutions show shear-thinning, while lamellar phases orient under shear without observed orientation transitions at high rates.

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Area of Science:

  • Physical Chemistry
  • Soft Matter Physics
  • Computational Fluid Dynamics

Background:

  • Surfactant solutions exhibit complex rheological behaviors crucial for industrial applications.
  • Understanding phase transitions and structural changes under shear is vital for predicting material properties.

Purpose of the Study:

  • To investigate the rheological properties of surfactant solutions under shear using dissipative particle dynamics.
  • To explore the influence of concentration, phase structure, and shear rate on solution behavior.
  • To validate simulation findings against experimental observations.

Main Methods:

  • Dissipative particle dynamics (DPD) simulations were employed.
  • Simulations covered various surfactant concentrations and phase structures (micellar, lamellar, hexagonal).
  • Rheological properties, including viscosity and phase orientation, were analyzed under applied shear.

Main Results:

  • Micellar solution viscosity increases with concentration, exhibiting shear-thinning behavior due to micelle breakdown.
  • Lamellar and hexagonal phases orient under shear, consistent with experimental data.
  • While perpendicular lamellar orientations show lower viscosity, a transition to this phase at high shear rates was not observed.

Conclusions:

  • DPD simulations accurately capture the rheology of surfactant solutions, including shear-thinning and phase orientation.
  • The Schmidt number significantly impacts simulation outcomes, necessitating careful selection for accurate predictions.
  • This study provides insights into structure-rheology relationships in complex fluids under flow.