Development of predictive models for silicone rubber–water partition coefficients of hydrophobic organic contaminants

2019 ◽  
Vol 21 (12) ◽  
pp. 2020-2030
Author(s):  
Huichao Sun ◽  
Xianhai Yang ◽  
Xuehua Li ◽  
Xiaochen Jin
Keyword(s):  
Partition Coefficient ◽  
Organic Compounds ◽  
Silicone Rubber ◽  
Predictive Models ◽  
Organic Contaminants ◽  
Partition Coefficients ◽  
Hydrophobic Organic Compounds ◽  
Hydrophobic Organic Contaminants ◽  
Water Partition Coefficient ◽  
Qsar Models

The developed TLSER and QSAR models can be used to predict silicone rubber (passive sampler material)–water partition coefficient (Ksrw) of hydrophobic organic compounds (HOCs).

The effects of colloidal humic substances on the movement of non-ionic hydrophobic organic contaminants in groundwater

1998 ◽  
Vol 38 (7) ◽  
pp. 159-167 ◽  
Author(s):  
Y. Shimizu ◽  
H. Sogabe ◽  
Y. Terashima
Keyword(s):  
Humic Substances ◽  
Iron Oxides ◽  
Organic Compounds ◽  
Organic Contaminants ◽  
Hydrophobic Organic Compounds ◽  
Hydrophobic Organic Contaminants ◽  
Third Phase ◽  
Aluminosilicate Gel ◽  
Amorphous Aluminosilicate ◽  
Inorganic Constituents

A controlled experimental study of the sorption of colloidal humic substances (humic acid) and a non-ionic hydrophobic organic compound (naphthalene) onto typical inorganic constituents of aquifer solids was performed using four types of model solid phases {i.e., individual model solids (montmorillonite, kaolinite, amorphous aluminosilicate gel, and amorphous iron oxides) and combined model solids (montmorillonite coated by amorphous aluminosilicate gel or iron oxides)}, which are synthesized in the laboratory. The batch experimental results indicated that the sorption of non-ionic hydrophobic organic compounds and colloidal humic substances onto the aquifer solids is significantly influenced by the solid composition. And it was also suggested that the non-ionic hydrophobic organic compounds which have greater hydrophobicity are considered to be sorbed and stabilized by the mobile colloidal humic substances in groundwater, and these colloids may act as a third phase that can increase the amount of compounds that the flow of groundwater can transport. On the other hand, the non-ionic hydrophobic organic contaminants of smaller hydrophobicity may be retarded significantly with the sorption of colloidal humic substances onto the aquifer solids.

Apparent octanol/water partition coefficients of pentachlorophenol as a function of pH

1982 ◽  
Vol 60 (16) ◽  
pp. 2104-2106 ◽  
Author(s):  
Klaus L. E. Kaiser ◽  
Ilze Valdmanis
Keyword(s):  
Aqueous Solution ◽  
Ionic Strength ◽  
Partition Coefficient ◽  
Linear Function ◽  
Partition Coefficients ◽  
Extreme Values ◽  
Log P ◽  
Water Partition Coefficient ◽  
Non Linear ◽  
Good Agreement

The apparent 1-octanol/water partition coefficient (log PApp) of pentachlorophenol (PCP) varies in non-linear function with pH of the aqueous solution. In the range of pH 1.2 to 13.5 extreme values of log PApp 4.84 at pH 1.2 and log PApp 1.3 at pH 10.5 were observed. In the alkaline regime, log PApp increases strongly with the ionic strength. The ion-corrected partition coefficient of PCP was found to be log P 5.05 in good agreement with literature values.

Simple method to calculate octanol–water partition coefficient of organic compounds

2004 ◽  
Vol 64 (3) ◽  
pp. 315-320 ◽  
Author(s):  
Elmira Arab Tehrany ◽  
Frantz Fournier ◽  
Stéphane Desobry
Keyword(s):  
Partition Coefficient ◽  
Organic Compounds ◽  
Simple Method ◽  
Water Partition Coefficient
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