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@INPROCEEDINGS{Wiegand:858834,
      author       = {Wiegand, Simone and Niether, Doreen},
      title        = {{INFLUENCE} {OF} {THE} {HYDROPHOBIC}/{HYDROPHILIC}
                      {INTERPLAY} {ON} {THERMODIFFUSION}},
      reportid     = {FZJ-2018-07674},
      year         = {2018},
      abstract     = {The hydration of hydrophobic solutes remains still illusive
                      despite the long history of research. Often hydrophobic
                      hydration is explained in terms of a balance between the
                      loss in entropy due to cavity formation to accommodate the
                      hydrophobic molecule and the gain in enthalpy due to
                      attraction between the solute and solvent molecules [1].
                      This entropic-enthalpic compensation mechanism is often
                      found in the context of biochemical reactions and apparently
                      thermodiffusion is especially sensitive to this balance. We
                      take a closer look into the mechanism by studying
                      systematically hydrophilic and more hydrophobic small
                      molecules as function of temperature and concentration. We
                      elucidate the often found typical temperature dependence of
                      the Soret coefficient of solute molecules in water and
                      relate the empirical parameters with the number and the
                      strength of hydrogen bonds [2]. Using a linear correlation
                      between those parameters, we are able to reduce the number
                      of adjustable parameters to two. We observe a clear
                      correlation of the temperature and concentration dependence
                      of the Soret coefficient with the hydrophilicity, which can
                      be quantitatively described by the logarithm of the
                      1-octanol/water partition coefficient P, which is a measure
                      for the hydrophilicity/hydrophobicity balance of a solute
                      for numerous systems [3]. It is often used to model the
                      transport of a compound in the environment or to screen for
                      potential pharmaceutical compounds. We give an intuitive
                      picture explaining the correlation between log P and the
                      temperature sensitivity of the Soret coefficient. Finally we
                      discuss a route for a more sophisticated hydrophilicity
                      scale. REFERENCES[1] S. Liese et al., ACS Nano, 11 702
                      (2017).[2] Niether, D., et al., Langmuir, 33, 8483(2017).[3]
                      Niether, D., et al., Physical Chemistry Chemical Physics,
                      20, 1012(2018).},
      month         = {Sep},
      date          = {2018-09-11},
      organization  = {13th International Meeting on
                       Thermodiffusion, London (UK), 11 Sep
                       2018 - 14 Sep 2018},
      subtyp        = {After Call},
      cin          = {ICS-3},
      cid          = {I:(DE-Juel1)ICS-3-20110106},
      pnm          = {551 - Functional Macromolecules and Complexes (POF3-551)},
      pid          = {G:(DE-HGF)POF3-551},
      typ          = {PUB:(DE-HGF)6},
      url          = {https://juser.fz-juelich.de/record/858834},
}