| 用分子拓扑指数计算烷基苯磺酸盐的界面张力相行为特征值 |
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| 引用本文： | 朱宪,王洪钟.用分子拓扑指数计算烷基苯磺酸盐的界面张力相行为特征值[J].石油学报(石油加工),1999,15(4):50-56. |
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| 作者姓名： | 朱宪 王洪钟 |
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| 作者单位： | 上海大学嘉定校区化学化工学院化工系 |
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| 基金项目： | 国家自然科学基金,上海教育委员会科技发展基金 |
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| 摘 要： | 用分子拓扑的方法研究了正烷烃，烷基环己烷，烷基苯及烷基苯磺酸盐表面活性剂分子的ＥＡＣＮ值与分子结构间的关系，发现分子的ＥＡＣＮ值与分子连接性指数、路程数和极性数有良好的线性相关性。对大量不同分子量的表面活性剂及其异构体的预测结果与实验规律一致。
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| 关 键 词： | 界面张力 拓扑指数 表面活性剂 EACN值 分子结构 |
THE CALCULATION OF EQUIVALENT ALKYL CARBON NUMBER FOR ALKYL PHENYL SULFONATE SURFACTANTS BY USING MOLECULAR TOPOLOGICAL INDEX |
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| Zhu Xian,Wang Hongzhong.THE CALCULATION OF EQUIVALENT ALKYL CARBON NUMBER FOR ALKYL PHENYL SULFONATE SURFACTANTS BY USING MOLECULAR TOPOLOGICAL INDEX[J].Acta Petrolei Sinica (Petroleum Processing Section),1999,15(4):50-56. |
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| Authors: | Zhu Xian Wang Hongzhong |
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| Abstract: | The relationship between the EACN values of alkanes,alkyl cyclohexanes,alkylbenzenes,alkyl phenyl sulfonate surfactants and their molecular connectivity is studied by molecular topological method.It is found that there is a linear correlation between EACN values and molecular topological indices.A correlation with a modified Wiener number is obtained,which can predict the EACN values of hydrocarbons and alkyl phenyl sulfonate surfactants according to their molecular structures.The predicted results show good conformity with the experimental results. |
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| Keywords: | molecular connectivity interfacial tension topology index surfactant EACN value |
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