Hqsar Study Of Benzene Derivatives And Complex Extraction Method In The Treatment Of Organic Wastewater

Quantitative Structure-Activity relationship could be formulated to be QSAR. With the computer technique being an important method in evaluating zoology risk of more and more organic chemicals in environment, holography of molecular became a bran-new expression of molecular 's configuration. Based on the toxicity of 69 benzene derivatives, a HQSAR model was constructed and LOO (leave on out) method was used to validate the forecasting capability and stability of this QSAR model.In the second part water contained some aniline derivatives was treated by applying extracting method. Based on the chemical structure of those compounds, the appropriate complexing agent was selected and the relationship between temperature and extracting efficiency was discussed, and reaction heat in the extracting process was also calculated. In another hand, wastewater from the production of dyestuff was one difficult problem in environment pollution. In dealing with the wastewater of M-3BE, an appropriate complexing agent named PCW-7 with high selectivity and efficiency was selected to deal with the wastewater. The extracting efficiency does not decent even after being reused for 20 times. Those factors that influenced extracting and flocculating efficiency were also discussed.