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Permanent link (DOI): https://doi.org/10.7939/R30R9MJ1Z

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Bubble Pressure Measurement and Modeling for n-Alkane + Aromatic Hydrocarbon Binary Mixtures Open Access

Descriptions

Other title
Subject/Keyword
PC-SAFT
UNIFAC
binary interaction parameter
Peng-Robinson EOS
equation of state
Soave-Redlich-Kwong EOS
prediction
hydrocarbon
COSMO-SAC
NRTL
thermodynamic models
bubble point pressure
Type of item
Thesis
Degree grantor
University of Alberta
Author or creator
Liu, Qingchen
Supervisor and department
Shaw, John M. (Chemical and Materials Engineering)
Examining committee member and department
Elliott, Janet A. W. (Chemical and Materials Engineering)
Zeng, Hongbo (Chemical and Materials Engineering)
McCaffrey, William (Chemical and Materials Engineering)
Department
Department of Chemical and Materials Engineering
Specialization
Chemical Engineering
Date accepted
2017-06-19T10:21:03Z
Graduation date
2017-11:Fall 2017
Degree
Master of Science
Degree level
Master's
Abstract
Commonly-used cubic equations of state (EOS) over predict the bubble point pressures (BPPs) for binary long-chain n-alkane + aromatic mixtures and frequently predict the incorrect phase diagram type. In this work, BPPs for 15 representative n-alkane + aromatic hydrocarbon binary mixtures were measured. The experimental results were compared with computed values obtained using the Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) EOS. For these cubic EOS, potential causes of the incorrect prediction of BPPs were studied. Binary interaction parameters (kij) for the PR and SRK EOS were regressed from experimental vapor-liquid equilibrium (VLE) data. It was found that negative kij values are required for cubic EOS in order to get accurate BPP predictions, contrary to the commonly-used positive or zero kij values for hydrocarbon mixtures. Regressed kijs trend towards larger negative values with increased size asymmetry of binary mixtures. Fitted kij values significantly improve the performance of PR and SRK EOS in predicting BPPs for highly asymmetric n-alkane + aromatic hydrocarbon binary mixtures. Experimental data were also used to validate other common thermodynamic models, including PC-SAFT, NRTL, UNIFAC and COSMO-SAC. These models were found to provide good BPP estimates for alkane + aromatic hydrocarbon mixtures without modification.
Language
English
DOI
doi:10.7939/R30R9MJ1Z
Rights
This thesis is made available by the University of Alberta Libraries with permission of the copyright owner solely for the purpose of private, scholarly or scientific research. This thesis, or any portion thereof, may not otherwise be copied or reproduced without the written consent of the copyright owner, except to the extent permitted by Canadian copyright law.
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