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KMID : 1024520020110070737
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Journal of the Environmental Sciences
2002 Volume.11 No. 7 p.737 ~ p.742
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Prediction of Sorption/Desorption Parameters of Halogenated Aliphatic Compounds Using QSAR
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Kim Jong-Oh
Park Jeung-Seok
Choi Yeon-Don
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Abstract
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Sorption and desorption is an important phenomenon to determine the fate of halogenated aliphatic hydrocarbons in the aqueous phase. This study was conducted to develope a predictive equation capable of estimating the sorption and desorption potentials of halogenated aliphatic hydrocarbons onto the sludge from activated process, sediment, and clay. It has shown that the sorption and desorption parameters can be accurately estimated using Quantitative Structural Activity Relationship(QSAR) models based on molecular connectivity indexes of test compounds. The QSAR model could be applied to predict the sorption and desorption capacity of the other halogenated aliphatic hydrocarbons. The QSAR modeling would provide a useful tool to predict the sorption and desorption capacity without time-consuming experiments.
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KEYWORD
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Halogenated aliphatic compounds, Sorption, Desorption, Molecular connectivity indexes, QSAR
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