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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 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.

Identiferoai:union.ndltd.org:LACETR/oai:collectionscanada.gc.ca:QMM.75760
Date January 1987
CreatorsAbusleme, Julio A.
PublisherMcGill University
Source SetsLibrary and Archives Canada ETDs Repository / Centre d'archives des thèses électroniques de Bibliothèque et Archives Canada
LanguageEnglish
Detected LanguageEnglish
TypeElectronic Thesis or Dissertation
Formatapplication/pdf
CoverageDoctor of Philosophy (Department of Chemical Engineering.)
RightsAll items in eScholarship@McGill are protected by copyright with all rights reserved unless otherwise indicated.
Relationalephsysno: 000665131, proquestno: AAINL46132, Theses scanned by UMI/ProQuest.

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