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The effective interfacial tensions between pure liquids and rough solids: a coarse-grained simulation study.

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Surface roughness significantly increases effective solid-liquid interfacial tension (SL-IFT) by altering liquid structure. Higher solid-liquid repulsion strength also directly boosts SL-IFT, impacting particle interactions and pressure tensor components.

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Area of Science:

  • Materials Science
  • Computational Chemistry
  • Surface Science

Background:

  • Understanding solid-liquid interfacial tension (SL-IFT) is crucial for various applications.
  • Surface roughness is known to influence interfacial properties, but its precise impact on SL-IFT requires detailed investigation.

Purpose of the Study:

  • To investigate the effect of surface roughness on effective solid-liquid interfacial tension (SL-IFT) using simulations.
  • To quantify the relationship between Wenzel's roughness factor and effective SL-IFT.
  • To analyze the influence of solid-liquid repulsion strength on SL-IFT in the presence of surface roughness.

Main Methods:

  • Coarse-grained simulations employing the dissipative particle dynamics (DPD) method.
  • Designing explicit solid-liquid interfaces with varying degrees of surface roughness.
  • Characterizing solid surface roughness using Wenzel's roughness factor.

Main Results:

  • Effective SL-IFT increases with increasing surface roughness (Wenzel's roughness factor).
  • Surface roughness alters the liquid's molecular structure near the solid interface.
  • Effective SL-IFT is directly proportional to the solid-liquid repulsion strength.

Conclusions:

  • Increased surface roughness leads to more effective solid-liquid interactions, raising SL-IFT.
  • The interplay between surface roughness and solid-liquid repulsion strength significantly affects interfacial properties.
  • Simulation insights provide a deeper understanding of how surface topography influences liquid behavior at interfaces.