Predicting Octanol/Water Partition Coefficients of Alcohol Ethoxylate Surfactants Using a Combination of Molecular Dynamics and the Conductor-like Screening Model for Realistic Solvents

Yamin, Peyman; Isele-Holder, Rolf E.; Leonhard, Kai (Corresponding author)

Washington, DC : American Chemical Society (2016)
Journal Article

In: Industrial & Engineering Chemistry Research
Volume: 55
Issue: 16
Page(s)/Article-Nr.: 4782-4789


  • Maßgeschneiderte Kraftstoffe aus Biomasse [080026]
  • Chair and Institute of Technical Thermodynamics [412110]