The New Jersey Institute of Technology's
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Title:	Thermodynamics of strong electrolyte solutions : prediction of osmotic coefficients by pair correlation function method
Author:	Rim, One Kwon
View Online:	njit-etd1991-051 (ix, 272 pages ~ 7.9 MB pdf)
Department:	Department of Chemical Engineering, Chemistry and Environmental Science
Degree:	Doctor of Philosophy
Program:	Chemical Engineering
Document Type:	Dissertation
Advisory Committee:	Knox, Dana E. (Committee chair) Bart, Ernest N. (Committee member) Parker, Richard Clyde (Committee member) Tomkins, R. P. T. (Committee member) Gray, Ralph D. (Committee member)
Date:	1991
Keywords:	Electrolyte solutions. Perturbation (Mathematics)
Availability:	Unrestricted
Abstract:	Thermodynamic properties (osmotic coefficients) of strong electrolyte solutions have been studied by the method of statistical mechanics. First the charged soft sphere potential is developed based on the Pauling type model. Next the charged soft sphere potential is converted to the thermodynamically corresponding charged hard sphere potential by way of the perturbation method developed by Verlet and Weis. Simultaneously, the radial distribution function is developed by modification of the Exponential theory through introduction of the Stillinger-Lovett moment condition. The effective hard sphere diameter values calculated by the perturbation method are combined with the modified Exponential theory, and these quantities are integrated to get the osmotic coefficients. These procedures are applied to 28 single electrolyte solutions. They are 1-1, 1-2, and 2-2 type strong electrolyte solutions. The calculated results are compared with Pitzer's model. Generally, the new model gives better results than Pitzer's. This model shows excellent results at low concentrations, as well as at higher concentrations up to the limitation of the experimental data in most of the cases.