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Permanent link (DOI): https://doi.org/10.7939/R3W681

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Solubility Modeling of Athabasca Vacuum Residue Open Access

Descriptions

Other title
Subject/Keyword
heavy oil upgrading
Hildebrand Solubility Parameter
compatibility
Type of item
Thesis
Degree grantor
University of Alberta
Author or creator
Zargarzadeh, Maryam
Supervisor and department
McCaffrey, William C (Chemical and Materials engineering)
Examining committee member and department
Chalaturnyk, Rick (Civil and Environmental Engineering)
Department
Department of Chemical and Materials Engineering
Specialization

Date accepted
2010-10-01T02:21:18Z
Graduation date
2010-11
Degree
Master of Science
Degree level
Master's
Abstract
The solubility parameters for ten fractions of Athabasca vacuum residue were calculated from molecular representations via group additivity methods. Two methods were used; Marrero-Gani and Fedors. The calculated parameters were compared between the fractions for consistency, and also compared with other literature sources. The results from the Marrero-Gani method were satisfactory in that the values were in the expected range and the results were consistent from fraction to fraction. The final stage of the work on group additivities was to estimate the solubility parameter values at the extraction temperature of 473 K, and then compare the solutes to the solvents. The solubility parameters of the solvents were calculated from correlations and from the molecular dynamic simulation; the latter method did not result in fulfilling values. The most reasonable solvent and solute solubility parameters were used to assess the utility of the solubility models to explain the trends. The solubility models were not suitable for these types of materials. Stability of heavy oil fractions undergoing mild thermal reactions were predicted computationally for limited sample cracked molecules.
Language
English
DOI
doi:10.7939/R3W681
Rights
Permission is hereby granted to the University of Alberta Libraries to reproduce single copies of this thesis and to lend or sell such copies for private, scholarly or scientific research purposes only. Where the thesis is converted to, or otherwise made available in digital form, the University of Alberta will advise potential users of the thesis of these terms. The author reserves all other publication and other rights in association with the copyright in the thesis and, except as herein before provided, neither the thesis nor any substantial portion thereof may be printed or otherwise reproduced in any material form whatsoever without the author's prior written permission.
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