Background for the 9th Challenge

There is increasing interest in high temperature and pressure processing of emulsions (e.g. emulsion polymerization, enhanced oil recovery). Typical conditions of interest are > 100 °C and > 1 bar (pressurized process to maintain liquid state). Dynamic drop tensiometer techniques are available for measuring interfacial tension (IFT) from droplet curvature at high T and P up to 200 °C and 200 bar, for example. See Chaverot et al. as an example.

The 9th Challenge aims to test the ability of molecular modeling approaches to predict water/oil IFT at elevated T and P for three different oils:

  • n-dodecane
  • toluene
  • 50:50 mixture of n-dodecane and toluene

The state conditions will be something on the order of:

  • 110-170 °C
  • 250 psig

The specific state conditions for the challenge will be announced in early 2016 with the challenge concluding before the AIChE Annual Meeting in November.

In is anticipated that a future challenge will build on this 9th challenge to incorporate polymeric or otherwise more complex oil phase or the effect of surfactant of water/oil IFT.

Here are a few references that may be useful for model validation:


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