Application of Fluctuation Solution Theory to Strong Electrolyte Solutions
Author: Heriberto Cabezas
Publisher:
Published: 1985
Total Pages: 386
ISBN-13:
DOWNLOAD EBOOKFluctuation solution theory relates derivatives of the thermodynamic properties to spatial integrals of the direct correlation functions. This formalism has been used as the basis for a model of aqueous strong electrolyte solutions which gives both volumetric properties and activities. The main thrust of the work has been the construction of a microscopic model for the direct correlation functions. This model contains the correlations due to the hard core repulsion, long range field interactions, and short range forces. The hard core correlations are modeled with a hard sphere expression derived from the Percus-Yevick theory. The long range field correlations are accounted for by using asymptotic potentials of mean force and the hypernetted chain equation. The short range correlations which include hydration and hydrogen bonding are modeled with a density expansion of the direct correlation function. The model requires six parameters for each ion and two for water. The ionic parameters are valid for all solution and those for water are universal. The model has been used to calculate derivative properties for six 1:1 electrolytes in water at 25c, 1 ATM, the calculated properties have been compared to experimentally determined values in order to confirm the adequacy of the model.
