| 一组含氟取代苯化合物土壤吸附系数的QSPR分析 |
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| 引用本文： | 杨红,田春荣,李黎,王连生.一组含氟取代苯化合物土壤吸附系数的QSPR分析[J].环境科学,1998,19(6):49-51. |
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| 作者姓名： | 杨红 田春荣 李黎 王连生 |
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| 作者单位： | 南京大学环境科学与工程系 |
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| 摘 要： | 为了研究含氟取代苯化合物的环境行为，测定１４个含氟取代苯化合物的土壤有机碳吸附系数Ｋｏｃ的值，运用正辛醇／水分配系数Ｋｏｗ及分子连接性指数和量子化学参数进行了定量结构－性质相关分析，得到２个回归方程。回归方程表明Ｋｏｗ与分子连接性指数结合可较好地预测含氟取代苯化合物的Ｋｏｃ而量子化学参数的引入证明了极性作用地土壤吸际过程的影响。
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| 关 键 词： | 土壤 吸附系数 农药污染 氟化合物 QSPR分析 |
| 收稿时间： | 3/9/1998 12:00:00 AM |
QSPR Analysis of Soil Sorption Coefficient for a Group of Fluorine Contained Aromatics |
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| Yang Hong,Tian Chunrong,Li Li and Wang Liansheng.QSPR Analysis of Soil Sorption Coefficient for a Group of Fluorine Contained Aromatics[J].Chinese Journal of Environmental Science,1998,19(6):49-51. |
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| Authors: | Yang Hong Tian Chunrong Li Li and Wang Liansheng |
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| Institution: | Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093;Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093;Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093;Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093 |
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| Abstract: | To study the environmental behavior of fluorine contained aromatics,the soil absorption coefficients( K oc )of 14 fluorine contained aromatics were determined.The molecular connectivity indices and quantum chemical parameters,as well as octanol/water partition coefficient( K ow )of these aromatics,were calculated and applied to the quantitative structure property relationship analysis for the K oc values.Two regression equations were obtained.The regression equation(3)showed that K ow combined with molecular connectivity indices can be well used to estimate values of K oc for fluorine contained aromatics.Quantum chemical parameters included in equation(4)proved the influence of polar interaction to the soil sorption process. |
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| Keywords: | fluorine contained aromatics soil organic carbon sorption coefficient octanol/water partition coefficient molecular connectivity indices quantum chemical parameters |
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