Thermodynamics of two-dimensional cluster formation at the water/air interface. A quantum chemical approach

  • Y. B. Vysotsky
  • V. S. Bryantsev
  • V. B. Fainerman
  • D. VollhardtEmail author
  • R. Miller
Conference paper
Part of the Progress in Colloid and Polymer Science book series (PROGCOLLOID, volume 121)


In the framework of the parametric method 3 quantum chemical approximation reasonable values are obtained for the thermo-dynamic characteristics of the cluster formation for the fatty alcohol series CnH2n+1OH (n = 8–16) with various structures at the air/water interface. The calculated values of the enthalpy, the entropy and the Gibbs energy for the formation of a definite cluster structure can be satisfactorily represented by a linear dependence on the number of CH2 groups in the alcohol molecule. The data obtained from the surface pressure—area isotherms are in qualitative, and for the Gibbs energy also in quantitative, agreement with the results of the quantum chemical calculations.

Key words

Quantum chemical calculations Long-chain alcohols Surface thermodynamics Two-dimensional clusterisation 


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Copyright information

© Springer-Verlag 2002

Authors and Affiliations

  • Y. B. Vysotsky
    • 1
  • V. S. Bryantsev
    • 1
  • V. B. Fainerman
    • 2
  • D. Vollhardt
    • 3
    Email author
  • R. Miller
    • 3
  1. 1.Academy of Civil Engineering and ArchitectureMakijivkaUkraine
  2. 2.International Medical Physicochemical CentreDonetsk Medical UniversityDonetskUkraine
  3. 3.Max-Planck-Institut für Kolloid- und GrenzflächenforschungForschungscampus GolmPotsdamGermany

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