Journal of Environmental Science International (한국환경과학회지)

The Korean Environmental Sciences Society (한국환경과학회)
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Prediction of Sorption/Desorption Parameters of Halogenated Aliphatic Compounds Using QSAR

QSAR을 이용한 지방족 할로겐화합물 흡착 및 탈착 계수의 예측

  • 김종오 (경상대학교 건설공학부 및 공학연구원) ;
  • 박증석 (경상대학교 대학원 환경보전학과/경상남도 보건환경연구원) ;
  • 최연돈 (경상대학교 대학원 환경보전학과)
  • Published : 2002.07.01
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Abstract

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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References

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