Gimenez-Romero, D.Bueno, Paulo Roberto [UNESP]Garcia-Jareno, J. J.Gabrielli, C.Perrot, H.Vicente, F.2014-05-202014-05-202006-10-05Journal of Physical Chemistry B. Washington: Amer Chemical Soc, v. 110, n. 39, p. 19364-19368, 2006.1520-6106http://hdl.handle.net/11449/39387The K+ reversible processes for ion exchange in KhFek[Fe(CN)(6)](l)center dot mH(2)O host compounds (Prussian Blue) were thermodynamically analyzed. A thermodynamic approach was established and developed based on the consideration of a lattice-gas model where the electronic contribution to the chemical potential is neglected and the ion-host interaction is not considered. The occupation fraction of the intercalation process was calculated from the kinetic parameters obtained through ac-electrogravimetry in a previous paper. In this way, the mass potential transfer function introduces a new way to evaluate the thermodynamic aspect of intercalation. Finally, based on the thermodynamic approach, the energy used to put each K+ ion into the host material was calculated. The values were shown to be in good agreement with the values obtained through transient techniques, for example, cyclic voltammetry. As a result, this agreement between theory and experimental data validates the thermodynamic approach considered here, and for the first time, the thermodynamic aspects of insertion were considered for mixed valence materials.19364-19368engArtigo10.1021/jp061534aWOS:000240825900043Acesso restrito04770459067332540000-0003-2827-0208