resumo
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.
palavras-chave
EQUATION-OF-STATE; POLYCYCLIC AROMATIC-HYDROCARBONS; PRESSURIZED HOT-WATER; LIQUID-LIQUID EQUILIBRIA; ASSOCIATING FLUID THEORY; PHASE-EQUILIBRIA; TEMPERATURE-DEPENDENCE; PERTURBATION-THEORY; SUBCRITICAL WATER; SAFT EOS
categoria
Engineering
autores
Oliveira, MB; Oliveira, VL; Coutinho, JAP; Queimada, AJ
nossos autores
agradecimentos
M.B.O. acknowledges support from the Fundacao para a Ciencia e a Tecnologia through her Ph.D. (SFRR/BD/29062/2006) scholarship. A.J.Q. acknowledges support from POCI/N010/2006. The authors also gratefully acknowledge Prof. Michal Roth (Institute of Analytical Chemistry, Academy of Sciences of the Czech Republic) for the useful discussion about the importance of the high pressure solubility data and for providing data used in this work.