| QSAR模型各参数对草酸铅阴极还原反应电流效率的影响 |
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| 引用本文： | 金玲,张新胜. QSAR模型各参数对草酸铅阴极还原反应电流效率的影响[J]. 化工学报, 2010, 61(Z1): 63-67 |
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| 作者姓名： | 金玲 张新胜 |
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| 作者单位： | 华东理工大学联合化学反应工程研究所,反应工程国家重点实验室 |
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| 摘 要： | 通过实验验证,草酸铅阴极还原过程的添加剂分子结构-性能(QSAR)模型所描述的原料浓度、溶液温度、电流密度以及添加剂结构等参数与阴极电流效率之间的关系与实际情况相符,结果证明,该模型能较好地预测各参数对电流效率的影响作用。得到了各参数在铅阴极还原过程中对电流效率的影响规律:溶液pH值由草酸浓度控制为宜;在一定范围内,电流密度越大,温度越低,电流效率越大;表征添加剂分子结构的Am1指数越大电流效率越小,Am2、Am3指数与电流效率关系则相反。
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Effect of QSAR model parameters on current efficiency in electroreduction of oxalic acid |
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| JIN Ling,ZHANG Xinsheng. Effect of QSAR model parameters on current efficiency in electroreduction of oxalic acid[J]. Journal of Chemical Industry and Engineering(China), 2010, 61(Z1): 63-67 |
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| Authors: | JIN Ling ZHANG Xinsheng |
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| Abstract: | The relationship between current efficiency of electroreduction of oxalic acid and each parameter of quantitative structure-activity relationship（QSAR）model including concentration of oxalic acid,pH,temperature,current density and topological index of additive molecule structure,has been studied through experiments.The results prove that the model has the capability to predict the effect of each parameter on current efficiency.Additionally,pH value of solution is controlled by oxalic acid,current efficiency will increasing with increasing current density,Am2-index and Am3-index as well as lowering temperature andAm1index. |
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