| 偶氮染料定量结构-生物降解关系(QSBR)研究 |
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| 引用本文： | 戴树桂,宋文华,庄源益,颜慧,陈晓军.偶氮染料定量结构-生物降解关系(QSBR)研究[J].环境化学,1998,17(2):115-119. |
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| 作者姓名： | 戴树桂 宋文华 庄源益 颜慧 陈晓军 |
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| 作者单位： | 南开大学环境科学系，南开大学环境科学系，南开大学环境科学系，南开大学环境科学系，南开大学物理系 天津，300071，天津，300071，天津，300071，天津，300071 |
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| 基金项目： | 国家自然科学基金，天津市自然科学基金资助课题 |
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| 摘 要： | 利用量子化学原理剖析了偶氮染料的脱色机制,所得结果与文献中关于染料结构与脱色能力之间关系的结论基本一致,以脱色能力为染料生物降解能力的表征,建立了定量结构生物降解性模型,模型预测结果与实验结果基本吻合。
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| 关 键 词： | 偶氮染料 脱色机制 量化剖析 QSBR |
THE STUDY OF QUANTITATIVE STRUCTURE-BIODEGRADABILITY RELATIONSHIPS FOR AZO DYES |
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| Dai Shugui,Song Wenhua,Zhuang Yuanyi,Chen Xiaojun,Yan Hui.THE STUDY OF QUANTITATIVE STRUCTURE-BIODEGRADABILITY RELATIONSHIPS FOR AZO DYES[J].Environmental Chemistry,1998,17(2):115-119. |
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| Authors: | Dai Shugui Song Wenhua Zhuang Yuanyi Chen Xiaojun Yan Hui |
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| Abstract: | Decolorizing mechnism of azo dyes was analysed by use of quantum chemistry principle, and the results on relation between azo dye structure and decolorizing ability is similar to the conclusion which got through the literatures. The quantitative structure-biodegradability relationships was built up according to the decolorizing ability. The prediction results of QSBR model was in agreement with the experiment results. |
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| Keywords: | azo dyes decolorizing mechnism quantum chemistry analysis QSBR |
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