Prediction of environmental parameters of polycyclic aromatic hydrocarbons with COSMO-RS

Chemosphere

Volumn 79, Issue 8, 2010, Pages 821-829

  Schröder, Bernd ^a   Santos, Luís M N B F ^b   Rocha, Marisa A A ^b   Oliveira, Mariana B ^a   Marrucho, Isabel M ^a   Coutinho, João A P ^a  

^a UNIVERSITY OF AVEIRO   (Portugal)

^b UNIVERSITY OF PORTO   (Portugal)

Author keywords

Aqueous solubilities; COSMO RS; Henry's law constant; Octanol water partition coefficient; Polycyclic aromatic hydrocarbons; Subcooled vapor pressures

Indexed keywords

AROMATIZATION; ENVIRONMENTAL REGULATIONS; FORECASTING; HYDROSTATIC PRESSURE; MINERAL OILS; SOLUBILITY; TEMPERATURE DISTRIBUTION;

AQUEOUS SOLUBILITY; COSMO-RS; HENRY'S LAW CONSTANT; OCTANOL-WATER PARTITION COEFFICIENT; SUBCOOLED VAPOR PRESSURE;

POLYCYCLIC AROMATIC HYDROCARBONS;

AROMATIC HYDROCARBON; ENVIRONMENTAL CHEMICAL; OCTANOL; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE; SOLVENT; WATER;

AQUEOUS SOLUTION; EQUATION OF STATE; NUMERICAL MODEL; PAH; PARTITION COEFFICIENT; PREDICTION; SOLUBILITY; SOLVENT; THERMODYNAMICS; VAPOR PRESSURE;

ACCURACY; ANALYTIC METHOD; AQUEOUS SOLUTION; ARTICLE; CHEMICAL MODEL; CHEMICAL PARAMETERS; CONDUCTOR LIKE SCREENING MODEL FOR REALISTIC SOLVATION; PARTITION COEFFICIENT; PREDICTION; SOLUBILITY; TEMPERATURE SENSITIVITY; VAPOR PRESSURE;

EID: 77951217125     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2010.02.059     Document Type: Article

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