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The Development of a Prediction Model for the Kinetic Constant of Chlorinated Aliphatic Hydrocarbons
Abstract Kinetic constants are important design parameters to determine the degradation of a substrate in biological treatment systems. The objective of this study was to develop a regression model using a quantitative structure–activity relationship technique for the prediction of the first-order rate constants (k) of chlorinated aliphatic hydrocarbons (CAHs). The prediction model showed very good correlations between the measured and calculated rate constants of CAHs. It was likely that the higher-order connectivity indices were important factors for the prediction of the kinetic constants, implying more complicated connectivity indices contributed to the prediction of a biological property. This technique would provide a useful tool to establish the kinetics of other CAHs without costly or time-consuming tests.
The Development of a Prediction Model for the Kinetic Constant of Chlorinated Aliphatic Hydrocarbons
Abstract Kinetic constants are important design parameters to determine the degradation of a substrate in biological treatment systems. The objective of this study was to develop a regression model using a quantitative structure–activity relationship technique for the prediction of the first-order rate constants (k) of chlorinated aliphatic hydrocarbons (CAHs). The prediction model showed very good correlations between the measured and calculated rate constants of CAHs. It was likely that the higher-order connectivity indices were important factors for the prediction of the kinetic constants, implying more complicated connectivity indices contributed to the prediction of a biological property. This technique would provide a useful tool to establish the kinetics of other CAHs without costly or time-consuming tests.
The Development of a Prediction Model for the Kinetic Constant of Chlorinated Aliphatic Hydrocarbons
Kim, Jongo (author) / Lee, Woo Bum (author)
Environmental Modeling & Assessment ; 14 ; 93-100
2007-08-03
8 pages
Article (Journal)
Electronic Resource
English
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