Measurements, models and simulations in mixtures : thermodynamics of aminealcohol binary systems

The major aim of this thesis has been to contribute to the understanding of the CH$ sb2$/OH/NH$ sb2$ group interactions by means of studies of alcohol-amine mixtures in the gas and liquid phases. === To study these interactions in the gas phase a Burnett type equipment was designed, built and operat...

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Bibliographic Details
Main Author: Abusleme, Julio A.
Format: Others
Language:en
Published: McGill University 1987
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Online Access:http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=75760
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Summary:The major aim of this thesis has been to contribute to the understanding of the CH$ sb2$/OH/NH$ sb2$ group interactions by means of studies of alcohol-amine mixtures in the gas and liquid phases. === To study these interactions in the gas phase a Burnett type equipment was designed, built and operated at low pressure, obtaining experimental pressure-temperature (P-T) data for various systems including alcohol-amylamine mixtures. The P-T data were reduced by a method developed in this work to give values of second virial coefficients. Measurements on known systems were in excellent agreement with values reported in the literature. A group contribution method for predicting pure compounds and interaction second virial coefficients is presented. This method is equal, or superior to methods already available. === To study the CH$ sb2$/OH/NH$ sb2$ group interactions in the liquid phase, vapor-liquid-equilibrium (VLE) experiments with alcohol-amylamine mixtures were carried out in a Van Ness type apparatus. The raw data were reduced by a novel model free method using the second virial coefficients obtained previously for these mixtures. A group contribution method for predicting vapor-liquid-equilibria of multicomponent multigroup mixtures is proposed. Excellent predictions are obtained with this method. === Finally, computer experiments of Lennard-Jones fluid mixtures were carried out to help in the understanding of the local composition concept. This concept is of fundamental importance not only in the models used in this work but also in numerous other solution models.