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Macroscopic relations for microscopic properties at the interface between solid substrates and dense fluids.

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Confined fluids show varied properties near surfaces. This study uses simulations to reveal how wall properties and temperature affect fluid density and viscosity, offering new models for microfluidics.

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Area of Science:

  • Physics
  • Physical Chemistry
  • Materials Science

Background:

  • Fluids confined by solid surfaces exhibit non-uniform properties due to atomic structuring.
  • Local variations in state variables and transport coefficients at solid-fluid interfaces are influenced by wall characteristics.
  • The exact mechanisms driving these interfacial phenomena remain unclear.

Purpose of the Study:

  • To investigate local fluid properties at solid-fluid interfaces under varying surface conditions and temperatures.
  • To derive microscopic relationships between fluid viscosity and density profiles in confined systems.
  • To develop empirical models for predicting average fluid density and viscosity in channels.

Main Methods:

  • Utilized nonequilibrium molecular dynamics (NEMD) simulations.
  • Analyzed fluid behavior at the solid-fluid interface.
  • Derived theoretical relationships and proposed empirical models.

Main Results:

  • Demonstrated that local fluid properties are strongly dependent on surface conditions and temperature.
  • Established microscopic connections between viscosity and density profiles for dense confined fluids.
  • Developed practical, empirical relations for average density and viscosity based on temperature, wall interactions, and bulk properties.

Conclusions:

  • Local fluid properties near solid surfaces are significantly influenced by confinement effects.
  • The derived microscopic and empirical relations provide valuable insights into fluid behavior at interfaces.
  • These findings are crucial for advancing micro-/nanofluidics, tribology, and understanding natural interfacial phenomena.