Chemical hardness-based prediction of the surface tension and enthalpy changes of sublimation for alkali halides


MOLECULAR PHYSICS, vol.116, no.13, pp.1677-1681, 2018 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 116 Issue: 13
  • Publication Date: 2018
  • Doi Number: 10.1080/00268976.2018.1441466
  • Title of Journal : MOLECULAR PHYSICS
  • Page Numbers: pp.1677-1681


A new theoretical route employing the concept of chemical hardness has been developed to predict the surface tension gamma and the changes of the standard enthalpies (CSEs) of sublimation Delta H-s(0) of alkali halides. The values of these quantities have been calculated by means of the ratios eta(M)/V-m(1/3) where eta(M) and V-m are the molecular hardness and molecular volume, respectively. The obtained results have been compared with those of previous theoretical models as well as with experimental data.