Multistate self-consistent field theory for the calculation of the interface of two immiscible electrolyte solutions

A. Vincze, G. Horvai, F. A.M. Leermakers

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

A new theory is formulated for the calculation of the interface of two immiscible electrolyte solutions. The theory is based on the self-consistent field theory for (chain) molecules in inhomogeneous systems developed by Scheutjens and Fleer. Complexation equilibrium between ions and carrier molecules is taken into account via the multistate character of the segments. Electrostatic interactions are also included in the theory. The self-consistent equations are derived starting with the optimization of the grand canonical partition function of the system. The set of equations is solved iteratively, giving the equilibrium distributions of the components in the system. Calculations for a model system, consisting of a liquid-membrane phase doped with a carrier molecule in contact with a simple electrolyte solution, are performed to test the applicability of the new theory. These results show that the calculations presented in this paper can be used to interpret or predict important analytical features of ion-selective electrodes.

Original languageEnglish
Pages (from-to)8946-8953
Number of pages8
JournalJournal of physical chemistry
Volume100
Issue number21
DOIs
Publication statusPublished - Jan 1 1996

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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