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Related Experiment Videos

Gas solubility in hydrophobic confinement.

Alenka Luzar1, Dusan Bratko

  • 1Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23284, USA. aluzar@vcu.edu

The Journal of Physical Chemistry. B
|July 21, 2006
PubMed
Summary

Gas adsorption in confined water significantly increases with smaller pore sizes, but high gas pressures are needed to expel water. This impacts gas solubility and Henry

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Area of Science:

  • Physical Chemistry
  • Surface Science
  • Nanotechnology

Background:

  • Atmospheric gases affect forces between apolar surfaces in water, despite low bulk solubility.
  • The role of gas adsorption in hydrophobic confinement and its effect on water depletion and phase transitions remain unclear.

Purpose of the Study:

  • To quantify gas adsorption in water-filled apolar confinements.
  • To investigate the relationship between pore width, gas fugacity, and gas concentration.
  • To determine if gas adsorption facilitates water depletion and phase transitions.

Main Methods:

  • Open Ensemble molecular simulations were employed.
  • Saturated gas concentrations were calculated as a function of pore width and gas fugacity.
  • Water density profiles and capillary evaporation kinetics were analyzed.

Main Results:

  • Gas concentrations in narrow pores (3-4 molecular diameters) exceeded bulk values by 30x (N2) and 15x (CO2) at ambient conditions.
  • Significant water expulsion required high fugacities (approx. 40 bar for N2, 2 bar for CO2) in 1.4 nm slits.
  • No significant coupling of adsorption layers was observed in pores at the spinodal limit.

Conclusions:

  • Gas adsorption is significantly enhanced in hydrophobic confinements, especially at narrow pore widths.
  • High gas fugacities are necessary to induce water expulsion and alter evaporation kinetics.
  • Gas solubility increases linearly with inverse confinement width, supporting Henry's law over a range of fugacities.

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