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The Clathrate-Water Interface Is Oleophilic.

Andressa A Bertolazzo1,2, Pavithra M Naullage1, Baron Peters3

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|May 30, 2018
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Surfactants promote clathrate hydrate nucleation by binding to the hydrate-water interface via hydrophobic tails. This binding, driven by entropy, is key for designing effective additives for natural gas storage and transport.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Chemical Engineering

Background:

  • Slow nucleation of clathrate hydrates hinders natural gas storage and transport.
  • Surfactants are known to promote hydrate nucleation and growth.
  • Previous hypotheses suggested hydrogen bonding for surfactant binding to clathrates.

Purpose of the Study:

  • To investigate the binding mode and strength of surfactants at the clathrate-water interface.
  • To determine the effect of surfactant binding on clathrate nucleation rates.
  • To elucidate the role of hydrophobic interactions in surfactant adsorption.

Main Methods:

  • Molecular dynamic simulations.
  • Theoretical analysis.
  • Adsorption isotherm modeling.

Main Results:

  • Surfactants bind exclusively through hydrophobic tails to the clathrate-water interface.
  • Binding is strong, driven by the entropy of alkyl chain dehydration into hydrate cavities.
  • Two binding regimes identified, correlating with Langmuir adsorption isotherm steps.
  • Hydrophobic attraction is crucial for designing effective hydrate nucleation promoters.

Conclusions:

  • Hydrophobic attraction is the primary mechanism for surfactant binding to clathrate hydrates.
  • Understanding this mechanism allows for the rational design of soluble additives for enhanced hydrate nucleation.
  • Quantified surfactant concentration effects on methane hydrate nucleation rates, with implications for natural gas industry applications.