| 饱和烷烃第二维里系数与分子的拓扑 |
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| 引用本文： | 任碧野,徐颂华,张一甫,罗北平.饱和烷烃第二维里系数与分子的拓扑[J].湖南理工学院学报,1996(1). |
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| 作者姓名： | 任碧野 徐颂华 张一甫 罗北平 |
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| 作者单位： | 岳阳大学化工系 |
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| 摘 要： | 本文采用图论方法对饱和烷烃第二维里系数B与分子结构的关系进行了探讨,结果发现烷烃第二维里系数与Wiener指数具有较好的相关性,并建立了它们之间的一个定量关系。对C_2～C_8共39个饱和烷烃B的计算表明,计算值与文献值的一致性是令人满意的。本文不仅拓展了Wiener指数的应用领域,而且也有助于深入理解第二维里系数的物理意义。
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| 关 键 词： | 图论 Wiener指数 第二维里系数 饱和烷烃 |
Second Virial Coefficient of Alkanes and Molecular Topology |
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| Ren Biye,Xu Zenghua,Zhang Yihu,Lo Beiping.Second Virial Coefficient of Alkanes and Molecular Topology[J].Journal of Hunan Institute of Science and Technology,1996(1). |
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| Authors: | Ren Biye Xu Zenghua Zhang Yihu Lo Beiping |
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| Affiliation: | Department of Chemical Engineering |
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| Abstract: | The paper deals with the relationship between the Second Virial Coefficient B of alka-nes and their molecular structure by using the graph theory. It is found that the relativity of the Second Virial Coefficient to Wiener Index is very good for paraffins, the calculated values B for 39 isomerica alkanes from C2-C8 are in good agreement with the literatural values. The paper not only deanelopes the application field of Wiener Index but helps to understand deeply the physical meaning of the Second Virial Coefficient as well. |
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| Keywords: | Graph Theory Wiener Index Second Virial Coefficient Alkanes |
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