Surfactant design for the 1,1,1,2-tetrafluoroethane-water interface: ab initio calculations and in situ high-pressure tensiometry.

@article{Selvam2006SurfactantDF,
  title={Surfactant design for the 1,1,1,2-tetrafluoroethane-water interface: ab initio calculations and in situ high-pressure tensiometry.},
  author={Parthiban Selvam and Robson Pablo Sobradiel Peguin and Udayan Chokshi and Sandro R. P. da Rocha},
  journal={Langmuir : the ACS journal of surfaces and colloids},
  year={2006},
  volume={22 21},
  pages={
          8675-83
        }
}
In situ high-pressure tensiometry and ab initio calculations were used to rationally design surfactants for the 1,1,1,2-tetrafluoroethane-water (HFA134a|W) interface. Nonbonded pair interaction (binding) energies (E(b)) of the complexes between HFA134a and candidate surfactant tails were used to quantify the HFA-philicity of selected moieties. The interaction between HFA134a and an ether-based tail was shown to be predominantly electrostatic in nature and much more favorable than that between… CONTINUE READING
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