| 烷烃分配系数与其分子结构间定量关系的探讨 |
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| 引用本文： | 王克强.烷烃分配系数与其分子结构间定量关系的探讨[J].宁夏大学学报(自然科学版),1994,15(1):82-85. |
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| 作者姓名： | 王克强 |
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| 作者单位： | 洛阳师专化学系 |
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| 基金项目： | 河南省高校优秀中青年骨干教师基金 |
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| 摘 要： | 本文用图论方法探讨了烷烃的分配系数与其分子结构之间的关系，提出了一个具有一定结构基础的定量关系式，据此可计算烷烃的分配系数。本文定量关系的提出，不仅能够合理表征烷烃分配系数与分子结构的关系，而且为工程上提供了一种预测烷烃分配系数的有放方法。
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| 关 键 词： | 结构性能关系，结构信息指数，分配系数，烷烃，定量关系。 |
Theoretical Study on the Relationship Between Partition Coeffients of Alkanes and Its Molecular Structure |
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| Wang Keqiang.Theoretical Study on the Relationship Between Partition Coeffients of Alkanes and Its Molecular Structure[J].Journal of Ningxia University(Natural Science Edition),1994,15(1):82-85. |
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| Authors: | Wang Keqiang |
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| Abstract: | A quantitative relation between the partition coeffients of alkanes and its molecular strueture is developed by using the graph theory.The quantitative relation can be used to predict the partition coeffients,The cal- culated resalts show that the predicted values agree with the experimental values satisfactorily,and absolute deviation of lgP is 0.03 for 40 kinds of alkanes,which is less than those of all the other exsisting methods |
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| Keywords: | structure performance relations structure information index par- tition coeffient alkane quantitative relation |
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