Thermodynamic Modeling of the Aqueous Solubility of PAHs

• Type: Article in International Scientific Journal
• Date: 2009

Authors

Mariana B. Oliveira (Author) FEUP; Vera L. Oliveira (Author) Other; João A. P. Coutinho (Author) FEUP; António J. Queimada (Author) FEUP

Journal

Title: Industrial & Engineering Chemistry Research

Pages: 5530-5536

ISSN: 0888-5885

Publisher: American Chemical Society

Indexing

ISI Web of Science

Scopus

COMPENDEX

Scientific classification

FOS: Engineering and technology > Chemical engineering

Other information

DOI: 10.1021/ie900011g

Abstract (EN): Polycyclic aromatic hydrocarbons (PAHs) are a family of compounds characterized by having two or more condensed aromatic rings. They are important environmental contaminants associated with oil spills and the incomplete combustion of organic materials. Different models are available in the literature for estimating the aqueous solubilities of organic compounds, but the most accurate are frequently based on the correlation of experimental data, which hampers their use as predictive tools. In this work, the cubic-plus-association equation of state (CPA EoS) is shown to be an accurate model for describing the aqueous solubilities of several solid PAHs in wide temperature and pressure ranges. The results obtained are in very close agreement with the literature data, even when the model is used in a totally predictive scheme. Following previous results on the aqueous solubilities of other organic pollutants, the use of the CPA EoS for describing the aqueous solubilities of organic pollutants such as polycyclic aromatic hydrocarbons is suggested.

Language: English

Type (Professor's evaluation): Scientific