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Filtering by: Advisor Frederick, W. J. Subject Chemical equilibrium -- Computer programs

A computer program to solve aqueous inorganic equilibrium systems using Pitzer's method to determine activity coefficients

Creator:

Kelly, Barry

Abstract:

Chemical equilibrium is a major factor in many natural and industrial systems. The ability to predict ionic equilibrium is extremely valuable in industry in solving problems without the costs involved in full scale experiments. An example of an application in the pulp and paper industry is the prediction of non-process...

Resource Type:

Masters Thesis

Full Text:

Pitzer's Method to Determine Activity Coefficients. Abstract approved: Redacted for Privacy W. J
A microcomputer software package for simulation of non-ideal aqueous electrolyte systems at equilibrium

Creator:

Sinquefield, Scott A.

Abstract:

The non-ideal aqueous electrolyte simulator (NAELS) is composed of three major parts: a Newton-Raphson non-linear optimization program written by Weare, et al (1987); an activity coefficient subroutine for non-ideal electrolyte systems based on Pitzer's model; and an extensive, user expandable database. It is robust, stable, and requires neither thermodynamic data...

Resource Type:

Masters Thesis

Full Text:

approved: Redacted for Privcy / William J. Frederick The non-ideal aqueous electrolyte simulator (NAELS