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Original Articles

Grand Canonical Ensemble Monte Carlo Simulations of Donnan Potentials, Nonelectroneutrality, Activity Coefficients and Excess Energy in Spherical Charged or Uncharged Pores with Restricted Primitive Model Electrolytes

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Pages 115-160 | Received 01 Nov 1993, Accepted 01 Nov 1993, Published online: 23 Sep 2006

References

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  • Malmgren , B. , Hansen , T. , S⊘rensen , S. , Jensen , B. and Hennenberg , M. 1989 . Electric impedance of cellulose acetate membranes and a composite membrane at different salt concentrations . J. Colloid Int. Sci. , 130 : 359
  • S⊘rensen , T. S. 1991 . “ Ions in solution and in weak ion exchange membranes ” . In Capillarity Today. Lecture Notes in Physics , Edited by: Pétreé , G. and Sanfeld , A. Vol., 386 , 164 – 221 . Berlin-Heidelberg-New York-London-Paris-Tokyo-Hong Knog-Barcelona-Budapest : Springer-Verlag .
  • S⊘rensen , T. S. , Malmgren-Hansen , B. and Jensen , B. 1991 . Electromotive force and impedance studies of cellulose acetate membranes: Evidence for two binding sites for divalent cations and for an alveolar structure of the skin layer . Desalination , 80 : 293
  • Donnan , F. G. 1911 . Theorie der Membrangleichgewichte und Membranpotentiale bei Vorhandensein von nicht dialyserenden Elektrolyten. Ein Beitrag zur physikalisch-chemischen Physiologie . Z. Elektrochemie , 17 : 572
  • Donnan , F. G. 1934 . Die genaue Thermodynamik der Membrangleichgewichte. II . Z. Phys. Chem. Abt. A , 168 : 369
  • Widom , B. 1963 . Some topics in the theory of fluids . J. Chem. Phys. , 39 : 2808
  • Widom , B. 1982 . Potential-distribution theory and the statistical mechanics of fluids . J. Phys. Chem. , 86 : 869
  • Sloth , P. and S⊘rensen , T. S. 1990 . Single-ion activity coefficients and structure of ionic fluids. Results for the primitive model of electrolyte solutions . J. Phys. Chem. , 94 : 2116
  • S⊘rensen , T. S. 1991 . Error in the Debye-Hückel approximation for dilute primitive model electrolytes with Bjerrum parameters of 2 and ca. investigated by Monte Carlo Methods: Excess energy, Helmholtz free energy, heat capacity and Widom activity coefficients corrected for neutralising background . J. Chem. Soc, Faraday Trans. , 87 : 479
  • S⊘rensen , T. S. 1993 . High precision canonical ensemble Monte Carlo simulations of very dilute primitive z:z and 2:1 electrolytes and of moderately concentrated 1:1 electrolyte mixtures . Molecular Simulation , 11 : 1
  • S⊘rensen , T. S. , Jensen , B. and Malmgren-Hansen , B. 1988 . Electrochemical characterization of cellulose acetate membranes. 1. Influence of hydrogen and Calcium ions on the EMF of LiCl concentration cells with a CA-membrane as separator . J. Non-Equilib. Thrmodyn. , 13 : 57
  • S⊘rensen , T. S. 1990 . How wrong is the Debye-Hückel approximation for dilute primitive model electrolytes with moderate Bjerrum parameter . J. Chem. Soc, Faraday Trans. , 86 : 1815
  • Hill , T. L. 1987 . Statistical Mechanics. Principles and Selected Applications , 19 – 20 . New York : Dover Publications . Chap. 4

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