Solubility of polycyclic aromatics in binary solvent mixtures using activity coefficient models

• Published in: Fluid phase equilibria 2005-03, Vol.230 (1), p.176-183
• Main Authors: Ali, Sami H., Al-Mutairi, Fahad S., Fahim, Mohamed A.
• Format: Article
• Language: English
• Subjects: Chemistry; Exact sciences and technology; General and physical chemistry; Heptane; iso-Octane; Liquid-solid equilibria; Phase equilibria; Phenanthrene; Pyrene; Solid–liquid equilibria (SLE); Toluene
• ISSN: 0378-3812; 1879-0224
• DOI: 10.1016/j.fluid.2005.01.010

Polycyclic aromatic hydrocarbons (PAHs) precipitation is one of the major problems in the hydrocracking units. In this investigation, pyrene and phenanthrene were selected because they were found to be in higher concentrations in the feed to hydrocracking units. Their solubilities were investigated in toluene solvent mixture of iso-octane and heptane over a temperature range from 293 to 323 K. The experimental solubility data were used to predict the interaction parameters for seven different solid–liquid equilibrium models. The following activity coefficient models were used; Wilson, NIBS/Redlich–Kister, UNIQUAC, modified UNIFAC, modified UNIFAC (Dortmund), Flory–Huggins and Sheng. The interaction parameters were expressed as a second-order polynomial function in temperature. In order to test the models, the average absolute deviation percentage (AADP) was used. The overall AADP was found to range from approximately 7 to 14%. The models can be arranged according to their accuracy in a descending order based on AADP as follows: NIBS/Redlich–Kister, Wilson, UNIQUAC, Sheng, Flory–Huggins, modified UNIFAC (Dortmund) and finally modified UNIFAC. All models used in this work gave reasonable results; however, the group contribution models can also be used as a predictive tool for the solubility measurement of pyrene and phenanthrene in other solvents containing the same groups of the solvents used in this study.